4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide

C15H11F2N3O — CID 107037509

IUPAC4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide
SMILESN#Cc1cc(F)c(CNc2ccc(C(N)=O)cc2)c(F)c1
InChIInChI=1S/C15H11F2N3O/c16-13-5-9(7-18)6-14(17)12(13)8-20-11-3-1-10(2-4-11)15(19)21/h1-6,20H,8H2,(H2,19,21)
InChIKeyFGAIZFGIPHHEDY-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.55
Rot. Bonds4

About 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide

4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide (PubChem CID 107037509) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide
PubChem CID107037509
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide
SMILESN#Cc1cc(F)c(CNc2ccc(C(N)=O)cc2)c(F)c1
InChIInChI=1S/C15H11F2N3O/c16-13-5-9(7-18)6-14(17)12(13)8-20-11-3-1-10(2-4-11)15(19)21/h1-6,20H,8H2,(H2,19,21)
InChIKeyFGAIZFGIPHHEDY-UHFFFAOYSA-N
XLogP2.55
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide 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

4-[(4-chloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037544
4-[(4-ethoxyanilino)methyl]-3,5-difluorobenzonitrile
CID 107037464
4-[(4-cyano-2-methylphenyl)methylamino]benzamide
CID 114479640
4-[(3-ethynylanilino)methyl]-3,5-difluorobenzonitrile
CID 107037418
3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
CID 107038073
4-[(3,5-dichloro-4-hydroxyanilino)methyl]-3,5-difluorobenzonitrile
CID 107679307
4-[(4-bromo-3-methylanilino)methyl]-3,5-difluorobenzonitrile
CID 107037499
3,5-difluoro-4-[(3-nitroanilino)methyl]benzonitrile
CID 107037928
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
3,5-difluoro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 107038187
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide?
The IUPAC name of 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide (CID 107037509) is 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide?
The canonical SMILES for 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide is N#Cc1cc(F)c(CNc2ccc(C(N)=O)cc2)c(F)c1.
What is the InChIKey of 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide?
The InChIKey is FGAIZFGIPHHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-13-5-9(7-18)6-14(17)12(13)8-20-11-3-1-10(2-4-11)15(19)21/h1-6,20H,8H2,(H2,19,21).
What are the key properties of 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide?
4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide has a molecular weight of 287.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide is sourced from PubChem (CID 107037509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).