(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide

C15H14ClFN2O — CID 107365994

IUPAC(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-11-7-12(17)9-13(8-11)19-15(20)14(18)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6,18H2,(H,19,20)/t14-/m0/s1
InChIKeyNJRBJDYFXONRFC-AWEZNQCLSA-N
MW292.74 g/mol
LogP2.99
Rot. Bonds4

About (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide

(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide (PubChem CID 107365994) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
PubChem CID107365994
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-11-7-12(17)9-13(8-11)19-15(20)14(18)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6,18H2,(H,19,20)/t14-/m0/s1
InChIKeyNJRBJDYFXONRFC-AWEZNQCLSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-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-difluorophenyl)-3-phenylpropanamide
CID 24703610
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
CID 83072762
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide
CID 77303408
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide (CID 107365994) is (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide?
The InChIKey is NJRBJDYFXONRFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-11-7-12(17)9-13(8-11)19-15(20)14(18)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6,18H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide has a molecular weight of 292.74 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 107365994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).