2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide

C19H22BrNO3 — CID 99609358

IUPAC2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-23-17-9-8-14(12-18(17)24-2)6-4-10-21-19(22)13-15-5-3-7-16(20)11-15/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,21,22)
InChIKeyQMMMAZQMOAHJDO-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.76
Rot. Bonds8

About 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide

2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide (PubChem CID 99609358) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
PubChem CID99609358
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-23-17-9-8-14(12-18(17)24-2)6-4-10-21-19(22)13-15-5-3-7-16(20)11-15/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,21,22)
InChIKeyQMMMAZQMOAHJDO-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]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

1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
N-[2-[[2-(3-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935128
N'-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 4312988
3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 26775759
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide (CID 99609358) is 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide is COc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1OC.
What is the InChIKey of 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide?
The InChIKey is QMMMAZQMOAHJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-23-17-9-8-14(12-18(17)24-2)6-4-10-21-19(22)13-15-5-3-7-16(20)11-15/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide?
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 99609358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).