4-chloro-2-(pyridine-4-carbonyl)benzamide

C13H9ClN2O2 — CID 22327295

IUPAC4-chloro-2-(pyridine-4-carbonyl)benzamide
SMILESNC(=O)c1ccc(Cl)cc1C(=O)c1ccncc1
InChIInChI=1S/C13H9ClN2O2/c14-9-1-2-10(13(15)18)11(7-9)12(17)8-3-5-16-6-4-8/h1-7H,(H2,15,18)
InChIKeyBGTDMQSIJYOAJA-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.06
Rot. Bonds3

About 4-chloro-2-(pyridine-4-carbonyl)benzamide

4-chloro-2-(pyridine-4-carbonyl)benzamide (PubChem CID 22327295) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-chloro-2-(pyridine-4-carbonyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(pyridine-4-carbonyl)benzamide
PubChem CID22327295
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name4-chloro-2-(pyridine-4-carbonyl)benzamide
SMILESNC(=O)c1ccc(Cl)cc1C(=O)c1ccncc1
InChIInChI=1S/C13H9ClN2O2/c14-9-1-2-10(13(15)18)11(7-9)12(17)8-3-5-16-6-4-8/h1-7H,(H2,15,18)
InChIKeyBGTDMQSIJYOAJA-UHFFFAOYSA-N
XLogP2.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(pyridine-4-carbonyl)benzamide?
The IUPAC name of 4-chloro-2-(pyridine-4-carbonyl)benzamide (CID 22327295) is 4-chloro-2-(pyridine-4-carbonyl)benzamide.
What is the SMILES notation for 4-chloro-2-(pyridine-4-carbonyl)benzamide?
The canonical SMILES for 4-chloro-2-(pyridine-4-carbonyl)benzamide is NC(=O)c1ccc(Cl)cc1C(=O)c1ccncc1.
What is the InChIKey of 4-chloro-2-(pyridine-4-carbonyl)benzamide?
The InChIKey is BGTDMQSIJYOAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-9-1-2-10(13(15)18)11(7-9)12(17)8-3-5-16-6-4-8/h1-7H,(H2,15,18).
What are the key properties of 4-chloro-2-(pyridine-4-carbonyl)benzamide?
4-chloro-2-(pyridine-4-carbonyl)benzamide has a molecular weight of 260.68 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(pyridine-4-carbonyl)benzamide is sourced from PubChem (CID 22327295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).