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

C18H15N3O3 — CID 4846463

IUPACN-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)c1
InChIInChI=1S/C18H15N3O3/c1-12(22)14-3-2-4-16(11-14)21-18(24)13-5-7-15(8-6-13)20-17(23)9-10-19/h2-8,11H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyXIMLHBLZBJHQCJ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.99
Rot. Bonds5

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

N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide (PubChem CID 4846463) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
PubChem CID4846463
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)c1
InChIInChI=1S/C18H15N3O3/c1-12(22)14-3-2-4-16(11-14)21-18(24)13-5-7-15(8-6-13)20-17(23)9-10-19/h2-8,11H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyXIMLHBLZBJHQCJ-UHFFFAOYSA-N
XLogP2.99
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
CID 168520748
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide (CID 4846463) is N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide is CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide?
The InChIKey is XIMLHBLZBJHQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12(22)14-3-2-4-16(11-14)21-18(24)13-5-7-15(8-6-13)20-17(23)9-10-19/h2-8,11H,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide?
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide has a molecular weight of 321.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide is sourced from PubChem (CID 4846463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).