N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide

C15H13BrClNO — CID 1407353

IUPACN-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c16-12-5-7-14(8-6-12)18-15(19)9-4-11-2-1-3-13(17)10-11/h1-3,5-8,10H,4,9H2,(H,18,19)
InChIKeyIOQDPKLDRVOEQQ-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.67
Rot. Bonds4

About N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide

N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide (PubChem CID 1407353) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
PubChem CID1407353
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c16-12-5-7-14(8-6-12)18-15(19)9-4-11-2-1-3-13(17)10-11/h1-3,5-8,10H,4,9H2,(H,18,19)
InChIKeyIOQDPKLDRVOEQQ-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromophenyl)-3-(3-chlorophenyl)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-chlorophenyl)-N-phenylpropanamide
CID 1407295
N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
CID 108986546
4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
CID 78829690
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
tert-butyl N-[2-[4-[3-(3-chlorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917038
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
CID 110625415
N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925742
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide (CID 1407353) is N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide is O=C(CCc1cccc(Cl)c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide?
The InChIKey is IOQDPKLDRVOEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c16-12-5-7-14(8-6-12)18-15(19)9-4-11-2-1-3-13(17)10-11/h1-3,5-8,10H,4,9H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide?
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide has a molecular weight of 338.63 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 1407353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).