3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide

C15H13BrCl2N2O — CID 109042170

IUPAC3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCNc1cccc(Br)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-10-2-1-3-12(8-10)19-7-6-15(21)20-14-5-4-11(17)9-13(14)18/h1-5,8-9,19H,6-7H2,(H,20,21)
InChIKeyWZPYDAJSEVJSGL-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.20
Rot. Bonds5

About 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide

3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 109042170) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
PubChem CID109042170
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCNc1cccc(Br)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c16-10-2-1-3-12(8-10)19-7-6-15(21)20-14-5-4-11(17)9-13(14)18/h1-5,8-9,19H,6-7H2,(H,20,21)
InChIKeyWZPYDAJSEVJSGL-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)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-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
CID 109038091
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide (CID 109042170) is 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide is O=C(CCNc1cccc(Br)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is WZPYDAJSEVJSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c16-10-2-1-3-12(8-10)19-7-6-15(21)20-14-5-4-11(17)9-13(14)18/h1-5,8-9,19H,6-7H2,(H,20,21).
What are the key properties of 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide?
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 388.09 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 109042170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).