4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide

C18H17N3O2 — CID 168520811

IUPAC4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)c1C
InChIInChI=1S/C18H17N3O2/c1-12-4-3-5-16(13(12)2)21-18(23)14-6-8-15(9-7-14)20-17(22)10-11-19/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKAMWXXZEIKZOKL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.41
Rot. Bonds4

About 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide

4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide (PubChem CID 168520811) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
PubChem CID168520811
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)c1C
InChIInChI=1S/C18H17N3O2/c1-12-4-3-5-16(13(12)2)21-18(23)14-6-8-15(9-7-14)20-17(22)10-11-19/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKAMWXXZEIKZOKL-UHFFFAOYSA-N
XLogP3.41
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
N-(2,3-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309087
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
[2-(2-methylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548765

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide (CID 168520811) is 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)c1C.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is KAMWXXZEIKZOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-4-3-5-16(13(12)2)21-18(23)14-6-8-15(9-7-14)20-17(22)10-11-19/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide?
4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 168520811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).