3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide

C16H13N3O2 — CID 2649522

IUPAC3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C16H13N3O2/c1-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-2-3-11(9-13)10-17/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyBQLPGVZWOMLGJY-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.17
Rot. Bonds3

About 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide

3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 2649522) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID2649522
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C16H13N3O2/c1-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-2-3-11(9-13)10-17/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyBQLPGVZWOMLGJY-UHFFFAOYSA-N
XLogP2.17
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-[4-(methylcarbamoyl)phenyl]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-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
CID 43231738
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 2649522) is 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is BQLPGVZWOMLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-2-3-11(9-13)10-17/h2-9H,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide?
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2649522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).