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

C15H11ClFNO2 — CID 4736856

IUPAC2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)cc1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H11ClFNO2/c16-13(14(19)10-4-2-1-3-5-10)15(20)18-12-8-6-11(17)7-9-12/h1-9,13H,(H,18,20)
InChIKeyAQOMSVNPCBLHSN-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.25
Rot. Bonds4

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

2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide (PubChem CID 4736856) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
PubChem CID4736856
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
SMILESO=C(Nc1ccc(F)cc1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H11ClFNO2/c16-13(14(19)10-4-2-1-3-5-10)15(20)18-12-8-6-11(17)7-9-12/h1-9,13H,(H,18,20)
InChIKeyAQOMSVNPCBLHSN-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.25
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

2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
(2S,3S)-2,3-dibenzoyloxy-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 41301838
(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide
CID 836187
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2S)-2-cyano-3-(4-fluorophenyl)-3-oxo-N-phenylpropanamide
CID 98450143
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate
CID 7571934
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
(2S)-2,4-dichloro-3-oxo-N-phenylbutanamide
CID 98058305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide (CID 4736856) is 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide is O=C(Nc1ccc(F)cc1)C(Cl)C(=O)c1ccccc1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide?
The InChIKey is AQOMSVNPCBLHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-13(14(19)10-4-2-1-3-5-10)15(20)18-12-8-6-11(17)7-9-12/h1-9,13H,(H,18,20).
What are the key properties of 2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide?
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide has a molecular weight of 291.71 g/mol, XLogP of 3.25, 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-fluorophenyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 4736856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).