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

C11H11N3O2 — CID 168524250

IUPAC4-[(2-cyanoacetyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C11H11N3O2/c1-13-11(16)8-2-4-9(5-3-8)14-10(15)6-7-12/h2-5H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyBPZROQRUPJNBTI-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.90
Rot. Bonds3

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

4-[(2-cyanoacetyl)amino]-N-methylbenzamide (PubChem CID 168524250) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-methylbenzamide
PubChem CID168524250
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-[(2-cyanoacetyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C11H11N3O2/c1-13-11(16)8-2-4-9(5-3-8)14-10(15)6-7-12/h2-5H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyBPZROQRUPJNBTI-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
N-methyl-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168610772
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 168522198
4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
CID 168520811
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-methylbenzamide (CID 168524250) is 4-[(2-cyanoacetyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
The InChIKey is BPZROQRUPJNBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-13-11(16)8-2-4-9(5-3-8)14-10(15)6-7-12/h2-5H,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-methylbenzamide?
4-[(2-cyanoacetyl)amino]-N-methylbenzamide has a molecular weight of 217.23 g/mol, XLogP of 0.90, 3 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-methylbenzamide is sourced from PubChem (CID 168524250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).