2-(4-acetylanilino)-6-fluorobenzonitrile

C15H11FN2O — CID 15041456

IUPAC2-(4-acetylanilino)-6-fluorobenzonitrile
SMILESCC(=O)c1ccc(Nc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H11FN2O/c1-10(19)11-5-7-12(8-6-11)18-15-4-2-3-14(16)13(15)9-17/h2-8,18H,1H3
InChIKeyCNIXZEJDFVWXHS-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-acetylanilino)-6-fluorobenzonitrile

2-(4-acetylanilino)-6-fluorobenzonitrile (PubChem CID 15041456) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(4-acetylanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-acetylanilino)-6-fluorobenzonitrile
PubChem CID15041456
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(4-acetylanilino)-6-fluorobenzonitrile
SMILESCC(=O)c1ccc(Nc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H11FN2O/c1-10(19)11-5-7-12(8-6-11)18-15-4-2-3-14(16)13(15)9-17/h2-8,18H,1H3
InChIKeyCNIXZEJDFVWXHS-UHFFFAOYSA-N
XLogP3.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
4-(2-cyano-3-fluoroanilino)-3-fluorobenzoic acid
CID 79513008
2-[4-(aminomethyl)anilino]-6-fluorobenzonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87076025
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
4-(2-cyano-3-fluoroanilino)-3,5-difluorobenzoic acid
CID 63187452
2-fluoro-6-(4-propoxyanilino)benzonitrile
CID 79513492
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
CID 71972950
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-acetylanilino)-6-fluorobenzonitrile (CID 15041456) is 2-(4-acetylanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-acetylanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-acetylanilino)-6-fluorobenzonitrile is CC(=O)c1ccc(Nc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-(4-acetylanilino)-6-fluorobenzonitrile?
The InChIKey is CNIXZEJDFVWXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10(19)11-5-7-12(8-6-11)18-15-4-2-3-14(16)13(15)9-17/h2-8,18H,1H3.
What are the key properties of 2-(4-acetylanilino)-6-fluorobenzonitrile?
2-(4-acetylanilino)-6-fluorobenzonitrile has a molecular weight of 254.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 15041456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).