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

C17H15N3O2 — CID 108922967

IUPACN-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1NC(=O)CC#N
InChIInChI=1S/C17H15N3O2/c1-12-6-2-3-7-13(12)17(22)20-15-9-5-4-8-14(15)19-16(21)10-11-18/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyKNXCEJLTQGUYNA-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.10
Rot. Bonds4

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

N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide (PubChem CID 108922967) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
PubChem CID108922967
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1NC(=O)CC#N
InChIInChI=1S/C17H15N3O2/c1-12-6-2-3-7-13(12)17(22)20-15-9-5-4-8-14(15)19-16(21)10-11-18/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyKNXCEJLTQGUYNA-UHFFFAOYSA-N
XLogP3.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-cyanoacetyl)amino]phenyl]-2-fluorobenzamide
CID 108922857
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
CID 168521332
2-cyano-N-[3-methyl-2-(propan-2-ylamino)phenyl]acetamide
CID 168520610
4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
CID 168520811
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
3-chloro-N-[2-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922875
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide (CID 108922967) is N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccccc1NC(=O)CC#N.
What is the InChIKey of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide?
The InChIKey is KNXCEJLTQGUYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-6-2-3-7-13(12)17(22)20-15-9-5-4-8-14(15)19-16(21)10-11-18/h2-9H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide?
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 108922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).