3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide

C13H10BrClN2O — CID 110678414

IUPAC3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(Br)c2)ccn1
InChIInChI=1S/C13H10BrClN2O/c1-8-6-10(4-5-16-8)17-13(18)9-2-3-12(15)11(14)7-9/h2-7H,1H3,(H,16,17,18)
InChIKeyPUBDAIXKMDEGMF-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

About 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide

3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 110678414) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID110678414
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(Br)c2)ccn1
InChIInChI=1S/C13H10BrClN2O/c1-8-6-10(4-5-16-8)17-13(18)9-2-3-12(15)11(14)7-9/h2-7H,1H3,(H,16,17,18)
InChIKeyPUBDAIXKMDEGMF-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
3-bromo-4-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 103841842
N-(2-methyl-4-pyridinyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692425
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide (CID 110678414) is 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)c(Br)c2)ccn1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is PUBDAIXKMDEGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-6-10(4-5-16-8)17-13(18)9-2-3-12(15)11(14)7-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide?
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 325.59 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 110678414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).