4-[(2-cyanoacetyl)amino]-N-phenylbenzamide

C16H13N3O2 — CID 138994514

IUPAC4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H13N3O2/c17-11-10-15(20)18-14-8-6-12(7-9-14)16(21)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyZVKFXFIVQGNSND-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.79
Rot. Bonds4

About 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide

4-[(2-cyanoacetyl)amino]-N-phenylbenzamide (PubChem CID 138994514) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
PubChem CID138994514
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H13N3O2/c17-11-10-15(20)18-14-8-6-12(7-9-14)16(21)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyZVKFXFIVQGNSND-UHFFFAOYSA-N
XLogP2.79
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate
CID 7808266
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
CID 168520811
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide (CID 138994514) is 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide is N#CCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide?
The InChIKey is ZVKFXFIVQGNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-11-10-15(20)18-14-8-6-12(7-9-14)16(21)19-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,20)(H,19,21).
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-phenylbenzamide?
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide has a molecular weight of 279.30 g/mol, XLogP of 2.79, 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-phenylbenzamide is sourced from PubChem (CID 138994514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).