3-chloro-N-pyridin-4-ylbenzamide

C12H9ClN2O — CID 849128

IUPAC3-chloro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClN2O/c13-10-3-1-2-9(8-10)12(16)15-11-4-6-14-7-5-11/h1-8H,(H,14,15,16)
InChIKeyAGEMHBDIONALQA-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.99
Rot. Bonds2

About 3-chloro-N-pyridin-4-ylbenzamide

3-chloro-N-pyridin-4-ylbenzamide (PubChem CID 849128) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-chloro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-pyridin-4-ylbenzamide
PubChem CID849128
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name3-chloro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClN2O/c13-10-3-1-2-9(8-10)12(16)15-11-4-6-14-7-5-11/h1-8H,(H,14,15,16)
InChIKeyAGEMHBDIONALQA-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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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-chloro-N-pyridin-4-ylbenzamide (CID 849128) is 3-chloro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-chloro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-chloro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-pyridin-4-ylbenzamide?
The InChIKey is AGEMHBDIONALQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-3-1-2-9(8-10)12(16)15-11-4-6-14-7-5-11/h1-8H,(H,14,15,16).
What are the key properties of 3-chloro-N-pyridin-4-ylbenzamide?
3-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 3-chloro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 849128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).