3-bromo-N-(5-methoxy-2-methylphenyl)propanamide

C11H14BrNO2 — CID 130496323

IUPAC3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(C)c(NC(=O)CCBr)c1
InChIInChI=1S/C11H14BrNO2/c1-8-3-4-9(15-2)7-10(8)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyUVYSYYOEXQZGDU-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.73
Rot. Bonds4

About 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide

3-bromo-N-(5-methoxy-2-methylphenyl)propanamide (PubChem CID 130496323) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
PubChem CID130496323
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(C)c(NC(=O)CCBr)c1
InChIInChI=1S/C11H14BrNO2/c1-8-3-4-9(15-2)7-10(8)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyUVYSYYOEXQZGDU-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(5-fluoro-2-methylphenyl)-4-(4-methoxyphenyl)butanamide
CID 798892
3-bromo-1-(5-methoxy-2-methylphenyl)propan-1-one
CID 135743351
2-(1-aminocyclobutyl)-N-(5-methoxy-2-methylphenyl)acetamide
CID 113266134
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
CID 13400011
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide
CID 123241915
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
CID 4290564

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide (CID 130496323) is 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide is COc1ccc(C)c(NC(=O)CCBr)c1.
What is the InChIKey of 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide?
The InChIKey is UVYSYYOEXQZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-3-4-9(15-2)7-10(8)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide?
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide has a molecular weight of 272.14 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 130496323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).