2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide

C15H11Cl2NO2 — CID 5085610

IUPAC2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(Nc1ccc(Cl)cc1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2/c16-11-6-8-12(9-7-11)18-15(20)13(17)14(19)10-4-2-1-3-5-10/h1-9,13H,(H,18,20)
InChIKeyRFIUGDGFTQKRBC-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide

2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide (PubChem CID 5085610) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
PubChem CID5085610
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(Nc1ccc(Cl)cc1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2/c16-11-6-8-12(9-7-11)18-15(20)13(17)14(19)10-4-2-1-3-5-10/h1-9,13H,(H,18,20)
InChIKeyRFIUGDGFTQKRBC-UHFFFAOYSA-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'}

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Related Compounds

4'-Chloroacetyl(acetanilide)
CID 8805
2-Bromo-4'-chloro-2'-(o-fluorobenzoyl)acetanilide
CID 74106
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
5-Chloro-2-(chloroacetamido)benzophenone
CID 77635
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
3,4-dichloro-N-phenylbenzamide
CID 504156
3-Oxo-3-phenylpropionanilide
CID 70398
3'-Chloro-M-toluanilide
CID 531963
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide (CID 5085610) is 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide is O=C(Nc1ccc(Cl)cc1)C(Cl)C(=O)c1ccccc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
The InChIKey is RFIUGDGFTQKRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-11-6-8-12(9-7-11)18-15(20)13(17)14(19)10-4-2-1-3-5-10/h1-9,13H,(H,18,20).
What are the key properties of 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide?
2-chloro-N-(4-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 2-chloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 5085610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).