N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide

C17H15N3O2 — CID 168521332

IUPACN-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)CC#N)c1
InChIInChI=1S/C17H15N3O2/c1-12-7-8-14(15(11-12)19-16(21)9-10-18)20-17(22)13-5-3-2-4-6-13/h2-8,11H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyNFTJWDUZOYCUBU-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.10
Rot. Bonds4

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

N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide (PubChem CID 168521332) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
PubChem CID168521332
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)CC#N)c1
InChIInChI=1S/C17H15N3O2/c1-12-7-8-14(15(11-12)19-16(21)9-10-18)20-17(22)13-5-3-2-4-6-13/h2-8,11H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyNFTJWDUZOYCUBU-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

2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
3-chloro-N-[2-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922875
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide
CID 46987181
3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
CID 168523802
2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide
CID 168521733
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide
CID 50965031
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide?
The IUPAC name of N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide (CID 168521332) is N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)CC#N)c1.
What is the InChIKey of N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide?
The InChIKey is NFTJWDUZOYCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-7-8-14(15(11-12)19-16(21)9-10-18)20-17(22)13-5-3-2-4-6-13/h2-8,11H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide?
N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide 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]-4-methylphenyl]benzamide is sourced from PubChem (CID 168521332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).