2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

C14H16BrN3O — CID 3768856

IUPAC2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCn1ccnc1
InChIInChI=1S/C14H16BrN3O/c15-13-4-2-12(3-5-13)10-14(19)17-6-1-8-18-9-7-16-11-18/h2-5,7,9,11H,1,6,8,10H2,(H,17,19)
InChIKeyGOSJCVYHMDOHRT-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.39
Rot. Bonds6

About 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide

2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 3768856) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID3768856
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCn1ccnc1
InChIInChI=1S/C14H16BrN3O/c15-13-4-2-12(3-5-13)10-14(19)17-6-1-8-18-9-7-16-11-18/h2-5,7,9,11H,1,6,8,10H2,(H,17,19)
InChIKeyGOSJCVYHMDOHRT-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)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-[3-(1H-imidazol-1-yl)propyl]-2-(4-methylphenyl)acetamide
CID 2939686
3-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4221180
2-bromo-N-(3-imidazol-1-ylpropyl)benzamide
CID 2843064
3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium bromide
CID 2881607
4-bromo-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 3425913
1-(4-bromophenethyl)-1H-imidazole
CID 19371551
N-[(1E)-1-(4-bromophenyl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]benzamide
CID 5891548
N-(1-cyclobutylimidazol-4-yl)-2-phenylacetamide
CID 45485623
N-[3-(1H-imidazol-1-yl)propyl]-2-methylbenzamide
CID 2842883
3-[2-(4-bromophenyl)-2-oxoethyl]-1-vinyl-1H-imidazol-3-ium bromide
CID 2881324
(E)-3-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 5737008
N-(3-Imidazol-1-yl-propyl)-2,2-diphenyl-propionamide
CID 2947950

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 3768856) is 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is O=C(Cc1ccc(Br)cc1)NCCCn1ccnc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is GOSJCVYHMDOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-13-4-2-12(3-5-13)10-14(19)17-6-1-8-18-9-7-16-11-18/h2-5,7,9,11H,1,6,8,10H2,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 322.21 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 3768856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).