3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide

C15H13Cl2FN2O — CID 109037696

IUPAC3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13Cl2FN2O/c16-10-7-11(17)9-14(8-10)19-6-5-15(21)20-13-3-1-12(18)2-4-13/h1-4,7-9,19H,5-6H2,(H,20,21)
InChIKeyZQYAIVGXEVCTDE-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.57
Rot. Bonds5

About 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide

3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 109037696) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
PubChem CID109037696
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13Cl2FN2O/c16-10-7-11(17)9-14(8-10)19-6-5-15(21)20-13-3-1-12(18)2-4-13/h1-4,7-9,19H,5-6H2,(H,20,21)
InChIKeyZQYAIVGXEVCTDE-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)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-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954855
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide (CID 109037696) is 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide is O=C(CCNc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1.
What is the InChIKey of 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is ZQYAIVGXEVCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-10-7-11(17)9-14(8-10)19-6-5-15(21)20-13-3-1-12(18)2-4-13/h1-4,7-9,19H,5-6H2,(H,20,21).
What are the key properties of 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide?
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide has a molecular weight of 327.19 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 109037696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).