2-anilino-N-(3-cyano-4-fluorophenyl)acetamide

C15H12FN3O — CID 62316865

IUPAC2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)CNc2ccccc2)ccc1F
InChIInChI=1S/C15H12FN3O/c16-14-7-6-13(8-11(14)9-17)19-15(20)10-18-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20)
InChIKeyJCCCDVAMQRZCKO-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.75
Rot. Bonds4

About 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide

2-anilino-N-(3-cyano-4-fluorophenyl)acetamide (PubChem CID 62316865) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
PubChem CID62316865
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)CNc2ccccc2)ccc1F
InChIInChI=1S/C15H12FN3O/c16-14-7-6-13(8-11(14)9-17)19-15(20)10-18-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20)
InChIKeyJCCCDVAMQRZCKO-UHFFFAOYSA-N
XLogP2.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
CID 62315442
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
2-anilino-N-(3,4,5-trifluorophenyl)acetamide
CID 62811643
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-(3-cyano-4-fluorophenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62551789
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
2-anilino-N-(2-cyano-3-fluorophenyl)acetamide
CID 60862601
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide (CID 62316865) is 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide is N#Cc1cc(NC(=O)CNc2ccccc2)ccc1F.
What is the InChIKey of 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide?
The InChIKey is JCCCDVAMQRZCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-14-7-6-13(8-11(14)9-17)19-15(20)10-18-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20).
What are the key properties of 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide?
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide has a molecular weight of 269.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 62316865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).