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

C13H10BrClN2O — CID 115268312

IUPACN-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O/c1-17(12-7-4-10(14)8-16-12)13(18)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKeyCVOBWCDNEKBXPE-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.77
Rot. Bonds2

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

N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide (PubChem CID 115268312) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
PubChem CID115268312
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O/c1-17(12-7-4-10(14)8-16-12)13(18)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKeyCVOBWCDNEKBXPE-UHFFFAOYSA-N
XLogP3.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
CID 17358116
N-(5-bromo-2-pyridinyl)-2-methoxy-N,5-dimethylbenzamide
CID 115274114
5-bromo-N-[2-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 115146882
N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide
CID 21229756
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
CID 115274143
1-(5-bromo-2-pyridinyl)-1-methyl-3-phenylurea
CID 115268322
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide (CID 115268312) is N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide?
The InChIKey is CVOBWCDNEKBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-17(12-7-4-10(14)8-16-12)13(18)9-2-5-11(15)6-3-9/h2-8H,1H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide?
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide has a molecular weight of 325.59 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide is sourced from PubChem (CID 115268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).