(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide

C15H11Cl2NO2 — CID 836187

IUPAC(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(Nc1ccccc1Cl)[C@@H](Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2/c16-11-8-4-5-9-12(11)18-15(20)13(17)14(19)10-6-2-1-3-7-10/h1-9,13H,(H,18,20)/t13-/m0/s1
InChIKeyNUOZMSCRISOLGL-ZDUSSCGKSA-N
MW308.16 g/mol
LogP3.77
Rot. Bonds4

About (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide

(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide (PubChem CID 836187) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide
PubChem CID836187
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(Nc1ccccc1Cl)[C@@H](Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2/c16-11-8-4-5-9-12(11)18-15(20)13(17)14(19)10-6-2-1-3-7-10/h1-9,13H,(H,18,20)/t13-/m0/s1
InChIKeyNUOZMSCRISOLGL-ZDUSSCGKSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-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

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
CID 4736856
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145
N-(2-chlorophenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52992841
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide (CID 836187) is (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide is O=C(Nc1ccccc1Cl)[C@@H](Cl)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide?
The InChIKey is NUOZMSCRISOLGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-11-8-4-5-9-12(11)18-15(20)13(17)14(19)10-6-2-1-3-7-10/h1-9,13H,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide?
(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide has a molecular weight of 308.16 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 836187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).