3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide

C12H14BrClN2O — CID 62627923

IUPAC3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
SMILESO=C(CCNc1ccc(Br)cc1Cl)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c13-8-1-4-11(10(14)7-8)15-6-5-12(17)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyGDERVKPJYMCDRQ-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.18
Rot. Bonds5

About 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide

3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide (PubChem CID 62627923) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
PubChem CID62627923
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
SMILESO=C(CCNc1ccc(Br)cc1Cl)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c13-8-1-4-11(10(14)7-8)15-6-5-12(17)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyGDERVKPJYMCDRQ-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-2-chloroanilino)-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-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81281134
3-(4-bromo-2-chloroanilino)propanamide
CID 43347354
3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
CID 103792790
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 17258306
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
4-(4-amino-2-bromoanilino)-N-cyclopropylbutanamide
CID 79394565
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 107729793

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide (CID 62627923) is 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide is O=C(CCNc1ccc(Br)cc1Cl)NC1CC1.
What is the InChIKey of 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide?
The InChIKey is GDERVKPJYMCDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-8-1-4-11(10(14)7-8)15-6-5-12(17)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17).
What are the key properties of 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide?
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide has a molecular weight of 317.61 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 62627923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).