3-(3-bromophenyl)propanamide

C9H10BrNO — CID 20823841

IUPAC3-(3-bromophenyl)propanamide
SMILESNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyHOWHUYSZGQYNGT-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.87
Rot. Bonds3

About 3-(3-bromophenyl)propanamide

3-(3-bromophenyl)propanamide (PubChem CID 20823841) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 3-(3-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)propanamide
PubChem CID20823841
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name3-(3-bromophenyl)propanamide
SMILESNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyHOWHUYSZGQYNGT-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromophenyl)propanamide 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

3-(3-bromophenyl)propanamide;ethane
CID 91218964
3-(3-bromophenyl)propanoyl chloride
CID 12607235
2-(3-bromophenyl)acetamide
CID 11736027
4-(3-bromophenyl)-1-chlorobutan-2-one
CID 39361872
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847
(2R)-4-amino-2-[3-(3-bromophenyl)propanoylamino]-4-oxobutanoic acid
CID 107821024
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
2-(3-bromophenyl)ethanol
CID 2734090
carbonic acid;3-phenylpropanamide
CID 174965682
2-[3-(3-bromophenyl)propanoylamino]oxyacetic acid
CID 60667850
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
3-(3-bromophenyl)-N-cyanopropanamide
CID 79193690

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)propanamide (CID 20823841) is 3-(3-bromophenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)propanamide is NC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)propanamide?
The InChIKey is HOWHUYSZGQYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H2,11,12).
What are the key properties of 3-(3-bromophenyl)propanamide?
3-(3-bromophenyl)propanamide has a molecular weight of 228.09 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)propanamide is sourced from PubChem (CID 20823841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).