N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide

C12H16BrNO2 — CID 114310600

IUPACN-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)CBr)c1
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14-12(15)7-10-4-3-5-11(6-10)16-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyVGWKMYRYJWMLCC-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.14
Rot. Bonds5

About N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide

N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 114310600) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID114310600
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)CBr)c1
InChIInChI=1S/C12H16BrNO2/c1-9(8-13)14-12(15)7-10-4-3-5-11(6-10)16-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyVGWKMYRYJWMLCC-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)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

N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 97086495
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
3-hydroxy-1-(3-methoxyphenyl)-4-methylpentan-2-one
CID 103455228
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide (CID 114310600) is N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC(C)CBr)c1.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is VGWKMYRYJWMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(8-13)14-12(15)7-10-4-3-5-11(6-10)16-2/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide?
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 286.17 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 114310600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).