2-chloro-N-pyridin-3-ylbenzamide

C12H9ClN2O — CID 587129

IUPAC2-chloro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O/c13-11-6-2-1-5-10(11)12(16)15-9-4-3-7-14-8-9/h1-8H,(H,15,16)
InChIKeyRPTRLIIPLCIWJB-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.99
Rot. Bonds2

About 2-chloro-N-pyridin-3-ylbenzamide

2-chloro-N-pyridin-3-ylbenzamide (PubChem CID 587129) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-3-ylbenzamide
PubChem CID587129
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name2-chloro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O/c13-11-6-2-1-5-10(11)12(16)15-9-4-3-7-14-8-9/h1-8H,(H,15,16)
InChIKeyRPTRLIIPLCIWJB-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-pyridin-3-ylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-N-pyridin-3-ylbenzamide (CID 587129) is 2-chloro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-pyridin-3-ylbenzamide?
The InChIKey is RPTRLIIPLCIWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-11-6-2-1-5-10(11)12(16)15-9-4-3-7-14-8-9/h1-8H,(H,15,16).
What are the key properties of 2-chloro-N-pyridin-3-ylbenzamide?
2-chloro-N-pyridin-3-ylbenzamide has a molecular weight of 232.67 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 587129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).