2-chloro-4-pyridin-3-ylbenzamide

C12H9ClN2O — CID 155526234

IUPAC2-chloro-4-pyridin-3-ylbenzamide
SMILESNC(=O)c1ccc(-c2cccnc2)cc1Cl
InChIInChI=1S/C12H9ClN2O/c13-11-6-8(3-4-10(11)12(14)16)9-2-1-5-15-7-9/h1-7H,(H2,14,16)
InChIKeyIIFPGRHVVUABTQ-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.50
Rot. Bonds2

About 2-chloro-4-pyridin-3-ylbenzamide

2-chloro-4-pyridin-3-ylbenzamide (PubChem CID 155526234) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4-pyridin-3-ylbenzamide
PubChem CID155526234
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name2-chloro-4-pyridin-3-ylbenzamide
SMILESNC(=O)c1ccc(-c2cccnc2)cc1Cl
InChIInChI=1S/C12H9ClN2O/c13-11-6-8(3-4-10(11)12(14)16)9-2-1-5-15-7-9/h1-7H,(H2,14,16)
InChIKeyIIFPGRHVVUABTQ-UHFFFAOYSA-N
XLogP2.50
TPSA55.98 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-4-pyridin-3-ylbenzamide (CID 155526234) is 2-chloro-4-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-4-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-4-pyridin-3-ylbenzamide is NC(=O)c1ccc(-c2cccnc2)cc1Cl.
What is the InChIKey of 2-chloro-4-pyridin-3-ylbenzamide?
The InChIKey is IIFPGRHVVUABTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-11-6-8(3-4-10(11)12(14)16)9-2-1-5-15-7-9/h1-7H,(H2,14,16).
What are the key properties of 2-chloro-4-pyridin-3-ylbenzamide?
2-chloro-4-pyridin-3-ylbenzamide has a molecular weight of 232.67 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 155526234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).