2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide

C17H14ClN3O2 — CID 108923898

IUPAC2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
SMILESN#CCC(=O)NCc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-15-7-2-1-6-14(15)17(23)21-13-5-3-4-12(10-13)11-20-16(22)8-9-19/h1-7,10H,8,11H2,(H,20,22)(H,21,23)
InChIKeyKZNUHSYIIKAWMZ-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.12
Rot. Bonds5

About 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide

2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide (PubChem CID 108923898) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
PubChem CID108923898
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
SMILESN#CCC(=O)NCc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H14ClN3O2/c18-15-7-2-1-6-14(15)17(23)21-13-5-3-4-12(10-13)11-20-16(22)8-9-19/h1-7,10H,8,11H2,(H,20,22)(H,21,23)
InChIKeyKZNUHSYIIKAWMZ-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

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Related Compounds

3-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923896
4-chloro-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]benzamide
CID 108923881
2-chloro-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923501
2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924113
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-ethylbutanamide
CID 108924026
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-sulfanylbenzamide
CID 108923212
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
CID 108924222
(E)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-4,4-dimethylpent-2-enamide
CID 108924210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide (CID 108923898) is 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide is N#CCC(=O)NCc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
The InChIKey is KZNUHSYIIKAWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-15-7-2-1-6-14(15)17(23)21-13-5-3-4-12(10-13)11-20-16(22)8-9-19/h1-7,10H,8,11H2,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide?
2-chloro-N-[3-[[(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-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 108923898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).