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

C16H12ClN3O2 — CID 2475447

IUPACN-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-2-1-3-14(10-12)20-16(22)11-4-6-13(7-5-11)19-15(21)8-9-18/h1-7,10H,8H2,(H,19,21)(H,20,22)
InChIKeyLQAGSLHPNNZDSR-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.44
Rot. Bonds4

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

N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide (PubChem CID 2475447) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
PubChem CID2475447
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-2-1-3-14(10-12)20-16(22)11-4-6-13(7-5-11)19-15(21)8-9-18/h1-7,10H,8H2,(H,19,21)(H,20,22)
InChIKeyLQAGSLHPNNZDSR-UHFFFAOYSA-N
XLogP3.44
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide
CID 168521018
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
4-chloro-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]benzamide
CID 108923881
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
3-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923896
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide (CID 2475447) is N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide is N#CCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide?
The InChIKey is LQAGSLHPNNZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-2-1-3-14(10-12)20-16(22)11-4-6-13(7-5-11)19-15(21)8-9-18/h1-7,10H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide?
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide has a molecular weight of 313.74 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide is sourced from PubChem (CID 2475447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).