3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide

C14H13BrN2O2 — CID 79467189

IUPAC3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
SMILESCOc1ncccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-5-6-10(8-11(9)15)13(18)17-12-4-3-7-16-14(12)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyRXKBPIDRQDFIJP-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.41
Rot. Bonds3

About 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide

3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide (PubChem CID 79467189) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
PubChem CID79467189
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
SMILESCOc1ncccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-9-5-6-10(8-11(9)15)13(18)17-12-4-3-7-16-14(12)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyRXKBPIDRQDFIJP-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
N-(2-bromo-4-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 107789815
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(2-methoxy-3-pyridinyl)quinazoline-7-carboxamide
CID 140575315
3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
CID 56500125
N-(2-methoxy-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60973003
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide (CID 79467189) is 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide is COc1ncccc1NC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide?
The InChIKey is RXKBPIDRQDFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-5-6-10(8-11(9)15)13(18)17-12-4-3-7-16-14(12)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide?
3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 79467189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).