3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide

C15H13Cl2FN2O — CID 107574522

IUPAC3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13Cl2FN2O/c16-12-6-10(7-13(17)14(12)18)20-15(21)11(8-19)9-4-2-1-3-5-9/h1-7,11H,8,19H2,(H,20,21)
InChIKeyFPSKVLVHZLIXGG-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.81
Rot. Bonds4

About 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide

3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide (PubChem CID 107574522) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
PubChem CID107574522
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13Cl2FN2O/c16-12-6-10(7-13(17)14(12)18)20-15(21)11(8-19)9-4-2-1-3-5-9/h1-7,11H,8,19H2,(H,20,21)
InChIKeyFPSKVLVHZLIXGG-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide 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-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
2-(aminomethyl)-N-(3,5-dichloro-4-fluorophenyl)butanamide
CID 107574395
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
CID 79766780
ditert-butyl 5-[(3-amino-2-phenylpropanoyl)amino]benzene-1,3-dicarboxylate
CID 70283606
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide
CID 62877990
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
4-amino-1-(4-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 107889994
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
3-amino-N-(2-ethylphenyl)-2-phenylpropanamide
CID 62878156

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide (CID 107574522) is 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide is NCC(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide?
The InChIKey is FPSKVLVHZLIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-12-6-10(7-13(17)14(12)18)20-15(21)11(8-19)9-4-2-1-3-5-9/h1-7,11H,8,19H2,(H,20,21).
What are the key properties of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide?
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide has a molecular weight of 327.19 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 107574522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).