2-(3-cyano-4-fluoroanilino)-N-phenylacetamide

C15H12FN3O — CID 62317173

IUPAC2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
SMILESN#Cc1cc(NCC(=O)Nc2ccccc2)ccc1F
InChIInChI=1S/C15H12FN3O/c16-14-7-6-13(8-11(14)9-17)18-10-15(20)19-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20)
InChIKeyODTAZBVVCNJNFP-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide

2-(3-cyano-4-fluoroanilino)-N-phenylacetamide (PubChem CID 62317173) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
PubChem CID62317173
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
SMILESN#Cc1cc(NCC(=O)Nc2ccccc2)ccc1F
InChIInChI=1S/C15H12FN3O/c16-14-7-6-13(8-11(14)9-17)18-10-15(20)19-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20)
InChIKeyODTAZBVVCNJNFP-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

Analyze 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
CID 62315442
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
(Z)-4-(3-cyano-4-fluoroanilino)-2-methylbut-2-enoic acid
CID 103247888
5-anilino-2-fluorobenzonitrile
CID 166901089
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
3-(3-cyano-4-fluoroanilino)-2-methylpropanoic acid
CID 62316458

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide?
The IUPAC name of 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide (CID 62317173) is 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide?
The canonical SMILES for 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide is N#Cc1cc(NCC(=O)Nc2ccccc2)ccc1F.
What is the InChIKey of 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide?
The InChIKey is ODTAZBVVCNJNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-14-7-6-13(8-11(14)9-17)18-10-15(20)19-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20).
What are the key properties of 2-(3-cyano-4-fluoroanilino)-N-phenylacetamide?
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide 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-(3-cyano-4-fluoroanilino)-N-phenylacetamide is sourced from PubChem (CID 62317173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).