4-chloro-N-pyridin-4-ylbenzamide

C12H9ClN2O — CID 689742

IUPAC4-chloro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O/c13-10-3-1-9(2-4-10)12(16)15-11-5-7-14-8-6-11/h1-8H,(H,14,15,16)
InChIKeyXUCJZEMSZSRYHK-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.99
Rot. Bonds2

About 4-chloro-N-pyridin-4-ylbenzamide

4-chloro-N-pyridin-4-ylbenzamide (PubChem CID 689742) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-pyridin-4-ylbenzamide
PubChem CID689742
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-chloro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O/c13-10-3-1-9(2-4-10)12(16)15-11-5-7-14-8-6-11/h1-8H,(H,14,15,16)
InChIKeyXUCJZEMSZSRYHK-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-chloro-N-pyridin-4-ylbenzamide (CID 689742) is 4-chloro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-chloro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-chloro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-pyridin-4-ylbenzamide?
The InChIKey is XUCJZEMSZSRYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-3-1-9(2-4-10)12(16)15-11-5-7-14-8-6-11/h1-8H,(H,14,15,16).
What are the key properties of 4-chloro-N-pyridin-4-ylbenzamide?
4-chloro-N-pyridin-4-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 4-chloro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 689742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).