4-(5-chloro-3-pyridinyl)benzamide

C12H9ClN2O — CID 155545770

IUPAC4-(5-chloro-3-pyridinyl)benzamide
SMILESNC(=O)c1ccc(-c2cncc(Cl)c2)cc1
InChIInChI=1S/C12H9ClN2O/c13-11-5-10(6-15-7-11)8-1-3-9(4-2-8)12(14)16/h1-7H,(H2,14,16)
InChIKeyATCYWHKQRVKLQJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.50
Rot. Bonds2

About 4-(5-chloro-3-pyridinyl)benzamide

4-(5-chloro-3-pyridinyl)benzamide (PubChem CID 155545770) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(5-chloro-3-pyridinyl)benzamide
PubChem CID155545770
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-(5-chloro-3-pyridinyl)benzamide
SMILESNC(=O)c1ccc(-c2cncc(Cl)c2)cc1
InChIInChI=1S/C12H9ClN2O/c13-11-5-10(6-15-7-11)8-1-3-9(4-2-8)12(14)16/h1-7H,(H2,14,16)
InChIKeyATCYWHKQRVKLQJ-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 4-(5-chloro-3-pyridinyl)benzamide?
The IUPAC name of 4-(5-chloro-3-pyridinyl)benzamide (CID 155545770) is 4-(5-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(5-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 4-(5-chloro-3-pyridinyl)benzamide is NC(=O)c1ccc(-c2cncc(Cl)c2)cc1.
What is the InChIKey of 4-(5-chloro-3-pyridinyl)benzamide?
The InChIKey is ATCYWHKQRVKLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-11-5-10(6-15-7-11)8-1-3-9(4-2-8)12(14)16/h1-7H,(H2,14,16).
What are the key properties of 4-(5-chloro-3-pyridinyl)benzamide?
4-(5-chloro-3-pyridinyl)benzamide 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 4-(5-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 155545770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).