2-(3-bromophenyl)-N-cyclopropylpropanamide

C12H14BrNO — CID 176514290

IUPAC2-(3-bromophenyl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-8(12(15)14-11-5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)
InChIKeyGSDCVJGNVHHIFV-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-bromophenyl)-N-cyclopropylpropanamide

2-(3-bromophenyl)-N-cyclopropylpropanamide (PubChem CID 176514290) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-cyclopropylpropanamide
PubChem CID176514290
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(3-bromophenyl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-8(12(15)14-11-5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)
InChIKeyGSDCVJGNVHHIFV-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-N-cyclopropylpropanamide 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-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-bromophenyl)propanehydrazide
CID 116843936
2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
CID 116848149
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium
CID 159602755
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675394
2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
methyl 4-(2-phenylpropanoylamino)cyclohexane-1-carboxylate
CID 104917471

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-bromophenyl)-N-cyclopropylpropanamide (CID 176514290) is 2-(3-bromophenyl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-bromophenyl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-cyclopropylpropanamide?
The InChIKey is GSDCVJGNVHHIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(12(15)14-11-5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(3-bromophenyl)-N-cyclopropylpropanamide?
2-(3-bromophenyl)-N-cyclopropylpropanamide has a molecular weight of 268.15 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-cyclopropylpropanamide is sourced from PubChem (CID 176514290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).