2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide

C17H14ClN3O2 — CID 108923501

IUPAC2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
SMILESN#CCC(=O)NCc1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClN3O2/c18-14-7-3-2-6-13(14)17(23)21-15-8-4-1-5-12(15)11-20-16(22)9-10-19/h1-8H,9,11H2,(H,20,22)(H,21,23)
InChIKeyLOLNYPNUSDOHHA-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.12
Rot. Bonds5

About 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide

2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide (PubChem CID 108923501) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
PubChem CID108923501
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
SMILESN#CCC(=O)NCc1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClN3O2/c18-14-7-3-2-6-13(14)17(23)21-15-8-4-1-5-12(15)11-20-16(22)9-10-19/h1-8H,9,11H2,(H,20,22)(H,21,23)
InChIKeyLOLNYPNUSDOHHA-UHFFFAOYSA-N
XLogP3.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923717
2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923898
4-(2-chlorophenoxy)-N-[[2-[(2-cyanoacetyl)amino]phenyl]methyl]butanamide
CID 108923588
N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985367
(E)-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-methylpent-2-enamide
CID 108923829
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
(E)-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-cyclopentylbut-2-enamide
CID 108923827
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108923539
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
2-benzamido-N-[(2-chlorophenyl)methyl]benzamide
CID 9400943
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide (CID 108923501) is 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide is N#CCC(=O)NCc1ccccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
The InChIKey is LOLNYPNUSDOHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-14-7-3-2-6-13(14)17(23)21-15-8-4-1-5-12(15)11-20-16(22)9-10-19/h1-8H,9,11H2,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide has a molecular weight of 327.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 108923501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).