Pharmaceutical impurity

Tedizolid Impurity 16

Tedizolid Impurity 16 is listed in the pharmaceutical impurity collection under CAS 149524-47-0. Its represented structure has formula C14H12FNO2 and a calculated molecular weight of 245.25 g/mol.

2D chemical structure

Chemical identity

Catalog name: Tedizolid Impurity 16
Common name: Tedizolid Impurity 16
Chemical name: benzyl N-(3-fluorophenyl)carbamate
CAS: 149524-47-0
SMILES: O=C(Nc1cccc(F)c1)OCc1ccccc1
InChI: InChI=1S/C14H12FNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKey: LHLKGCMCFFJNCS-UHFFFAOYSA-N
Associated API: Tedizolid

Record ID: A91195f7246de

Computed properties

C14H12FNO2 Molecular formula

245.253 g/molMolecular weight

245.0852 DaMonoisotopic exact mass

38.33 Å²Topological polar surface area

3.5744 Calculated LogP (Wildman–Crippen)

66.6497 cm³/molMolar refractivity (Wildman–Crippen)

2 countHydrogen-bond acceptors

1 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Structural feature counts

Element composition

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference

Descriptor	Value	Percentile
Molecular weight	245.253	28.92
Calculated LogP (Wildman–Crippen)	3.5744	72.00
Topological polar surface area	38.33	20.29
Hydrogen-bond acceptors	2	15.92
Hydrogen-bond donors	1	38.08
Rotatable bonds (strict)	3	37.08

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C14H12FNO2	dimensionless
Molecular weight	245.253	g/mol
Monoisotopic exact mass	245.0852	Da
Topological polar surface area	38.33	Å²
Calculated LogP (Wildman–Crippen)	3.5744	dimensionless
Molar refractivity (Wildman–Crippen)	66.6497	cm³/mol
Hydrogen-bond acceptors	2	count
Hydrogen-bond donors	1	count
Rotatable bonds (strict)	3	count
Heavy atoms	18	count
Heteroatoms	4	count
Rings	2	count
Aromatic rings	2	count
Aliphatic rings	0	count
Saturated rings	0	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	0	count
Saturated heterocycles	0	count
Aromatic carbocycles	2	count
Aliphatic carbocycles	0	count
Fraction of sp³ carbon atoms	0.0714	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	0	count
Unspecified atom stereocenters	0	count
Spiro atoms	0	count
Bridgehead atoms	0	count
Labute approximate surface area	104.2088	Å²
Valence electrons	92	count
Radical electrons	0	count
Bertz complexity	528.327	index
Balaban J	1.8592	index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Tedizolid Impurity 16

Qualification and safety assessment of Tedizolid Impurity 16

Explore toxicological qualification of Tedizolid Impurity 16 and ICH M7 mutagenic impurity assessment of Tedizolid Impurity 16 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Tedizolid Impurity 16 and acceptable intake and limit justification for Tedizolid Impurity 16. The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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