3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide

C13H15BrClNO2 — CID 172652075

IUPAC3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide
SMILESO=C(CCc1ccc(Br)cc1Cl)NC1CCOC1
InChIInChI=1S/C13H15BrClNO2/c14-10-3-1-9(12(15)7-10)2-4-13(17)16-11-5-6-18-8-11/h1,3,7,11H,2,4-6,8H2,(H,16,17)
InChIKeyMKAVWMDMBUJPLU-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.94
Rot. Bonds4

About 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide

3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide (PubChem CID 172652075) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide
PubChem CID172652075
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide
SMILESO=C(CCc1ccc(Br)cc1Cl)NC1CCOC1
InChIInChI=1S/C13H15BrClNO2/c14-10-3-1-9(12(15)7-10)2-4-13(17)16-11-5-6-18-8-11/h1,3,7,11H,2,4-6,8H2,(H,16,17)
InChIKeyMKAVWMDMBUJPLU-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)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

N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
CID 172652070
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
3-[(4-bromo-2-chlorophenyl)methyl]oxan-4-ol
CID 106471285
2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
CID 99928750
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
5-chloro-N-(oxolan-3-yl)furan-2-carboxamide
CID 103839350
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
CID 103792790

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide (CID 172652075) is 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide is O=C(CCc1ccc(Br)cc1Cl)NC1CCOC1.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide?
The InChIKey is MKAVWMDMBUJPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-10-3-1-9(12(15)7-10)2-4-13(17)16-11-5-6-18-8-11/h1,3,7,11H,2,4-6,8H2,(H,16,17).
What are the key properties of 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide?
3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide has a molecular weight of 332.63 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 172652075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).