N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide

C13H10BrClN2O — CID 102674199

IUPACN-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C13H10BrClN2O/c1-8-4-9(6-11(15)5-8)13(18)17-12-7-10(14)2-3-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyOCDKCHMLQHZVJH-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.06
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide

N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide (PubChem CID 102674199) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
PubChem CID102674199
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C13H10BrClN2O/c1-8-4-9(6-11(15)5-8)13(18)17-12-7-10(14)2-3-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyOCDKCHMLQHZVJH-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

N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide (CID 102674199) is N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)Nc2cc(Br)ccn2)c1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide?
The InChIKey is OCDKCHMLQHZVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8-4-9(6-11(15)5-8)13(18)17-12-7-10(14)2-3-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide?
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide 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 N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide is sourced from PubChem (CID 102674199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).