N-(4-chloro-3-pyridin-2-ylphenyl)benzamide

C18H13ClN2O — CID 45485785

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-16-10-9-14(12-15(16)17-8-4-5-11-20-17)21-18(22)13-6-2-1-3-7-13/h1-12H,(H,21,22)
InChIKeyKDCMHGOCDYEERH-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.65
Rot. Bonds3

About N-(4-chloro-3-pyridin-2-ylphenyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)benzamide (PubChem CID 45485785) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)benzamide
PubChem CID45485785
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-16-10-9-14(12-15(16)17-8-4-5-11-20-17)21-18(22)13-6-2-1-3-7-13/h1-12H,(H,21,22)
InChIKeyKDCMHGOCDYEERH-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Boscalid
CID 213013
Vismodegib
CID 24776445
Fluopyram
CID 11158353
2-Chloro-5-nitro-N-4-pyridinylbenzamide
CID 2777391
Ica-27243
CID 9903497
Benzamide, 2-chloro-N-4-pyridinyl-
CID 5121684
N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CID 9797919
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
2,6-dichloro-N-(pyridin-4-yl)benzamide
CID 3120536
2,4-dichloro-N-(pyridin-3-yl)benzamide
CID 599595
N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317995
N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
CID 67120985

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)benzamide (CID 45485785) is N-(4-chloro-3-pyridin-2-ylphenyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccccc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
The InChIKey is KDCMHGOCDYEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-16-10-9-14(12-15(16)17-8-4-5-11-20-17)21-18(22)13-6-2-1-3-7-13/h1-12H,(H,21,22).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)benzamide has a molecular weight of 308.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)benzamide is sourced from PubChem (CID 45485785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).