2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide

C11H14BrNO2 — CID 81370298

IUPAC2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)CBr)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(13-11(14)7-12)9-3-5-10(15-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyOIWSQHYVDMNHEJ-QMMMGPOBSA-N
MW272.14 g/mol
LogP2.27
Rot. Bonds4

About 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide

2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 81370298) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID81370298
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)CBr)cc1
InChIInChI=1S/C11H14BrNO2/c1-8(13-11(14)7-12)9-3-5-10(15-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyOIWSQHYVDMNHEJ-QMMMGPOBSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
2-(2-methoxyethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364417
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide (CID 81370298) is 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc([C@H](C)NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is OIWSQHYVDMNHEJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(13-11(14)7-12)9-3-5-10(15-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide?
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 272.14 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 81370298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).