N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide

C21H14Cl2FNO2 — CID 52916008

IUPACN-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C21H14Cl2FNO2/c22-15-8-11-18(17(12-15)20(26)14-4-2-1-3-5-14)25-21(27)19(23)13-6-9-16(24)10-7-13/h1-12,19H,(H,25,27)
InChIKeyLFADBTHYNKYQCY-UHFFFAOYSA-N
MW402.25 g/mol
LogP5.63
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide (PubChem CID 52916008) has the molecular formula C21H14Cl2FNO2 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
PubChem CID52916008
Molecular FormulaC21H14Cl2FNO2
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C21H14Cl2FNO2/c22-15-8-11-18(17(12-15)20(26)14-4-2-1-3-5-14)25-21(27)19(23)13-6-9-16(24)10-7-13/h1-12,19H,(H,25,27)
InChIKeyLFADBTHYNKYQCY-UHFFFAOYSA-N
XLogP5.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.25
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 52916738
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11839494
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530
N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide
CID 52916197
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223887
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide (CID 52916008) is N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide is O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide?
The InChIKey is LFADBTHYNKYQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FNO2/c22-15-8-11-18(17(12-15)20(26)14-4-2-1-3-5-14)25-21(27)19(23)13-6-9-16(24)10-7-13/h1-12,19H,(H,25,27).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide has a molecular weight of 402.25 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 52916008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).