N-(3-cyanophenyl)-4-(methylamino)benzamide

C15H13N3O — CID 62166375

IUPACN-(3-cyanophenyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C15H13N3O/c1-17-13-7-5-12(6-8-13)15(19)18-14-4-2-3-11(9-14)10-16/h2-9,17H,1H3,(H,18,19)
InChIKeyGXAZCWABNUOJEY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.85
Rot. Bonds3

About N-(3-cyanophenyl)-4-(methylamino)benzamide

N-(3-cyanophenyl)-4-(methylamino)benzamide (PubChem CID 62166375) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(methylamino)benzamide
PubChem CID62166375
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(3-cyanophenyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C15H13N3O/c1-17-13-7-5-12(6-8-13)15(19)18-14-4-2-3-11(9-14)10-16/h2-9,17H,1H3,(H,18,19)
InChIKeyGXAZCWABNUOJEY-UHFFFAOYSA-N
XLogP2.85
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-cyanophenyl)-4-(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

N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
N-(3-cyanophenyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
CID 11381576

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(methylamino)benzamide?
The IUPAC name of N-(3-cyanophenyl)-4-(methylamino)benzamide (CID 62166375) is N-(3-cyanophenyl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(methylamino)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-(methylamino)benzamide?
The InChIKey is GXAZCWABNUOJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-17-13-7-5-12(6-8-13)15(19)18-14-4-2-3-11(9-14)10-16/h2-9,17H,1H3,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-4-(methylamino)benzamide?
N-(3-cyanophenyl)-4-(methylamino)benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(methylamino)benzamide is sourced from PubChem (CID 62166375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).