2-bromo-N-(3,4-dimethoxyphenyl)propanamide

C11H14BrNO3 — CID 25219542

IUPAC2-bromo-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Br)cc1OC
InChIInChI=1S/C11H14BrNO3/c1-7(12)11(14)13-8-4-5-9(15-2)10(6-8)16-3/h4-7H,1-3H3,(H,13,14)
InChIKeyQELKSBIJCLTLSB-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.43
Rot. Bonds4

About 2-bromo-N-(3,4-dimethoxyphenyl)propanamide

2-bromo-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 25219542) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID25219542
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-bromo-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Br)cc1OC
InChIInChI=1S/C11H14BrNO3/c1-7(12)11(14)13-8-4-5-9(15-2)10(6-8)16-3/h4-7H,1-3H3,(H,13,14)
InChIKeyQELKSBIJCLTLSB-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496094
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylanilino)propanamide
CID 51242692
(2S)-N-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274984
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55418035

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-bromo-N-(3,4-dimethoxyphenyl)propanamide (CID 25219542) is 2-bromo-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Br)cc1OC.
What is the InChIKey of 2-bromo-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is QELKSBIJCLTLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(12)11(14)13-8-4-5-9(15-2)10(6-8)16-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-bromo-N-(3,4-dimethoxyphenyl)propanamide?
2-bromo-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 288.14 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 25219542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).