2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide

C22H24ClFN2O2 — CID 53364514

IUPAC2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)CCl)c1ccc(F)cc1
InChIInChI=1S/C22H24ClFN2O2/c23-15-20(27)26(19-13-11-17(24)12-14-19)21(16-7-3-1-4-8-16)22(28)25-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21H,2,5-6,9-10,15H2,(H,25,28)
InChIKeyZBYQCWGRXAISNW-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.59
Rot. Bonds6

About 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide

2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide (PubChem CID 53364514) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
PubChem CID53364514
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Name2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)CCl)c1ccc(F)cc1
InChIInChI=1S/C22H24ClFN2O2/c23-15-20(27)26(19-13-11-17(24)12-14-19)21(16-7-3-1-4-8-16)22(28)25-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21H,2,5-6,9-10,15H2,(H,25,28)
InChIKeyZBYQCWGRXAISNW-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.59
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-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688312
2-(N-(2-chloroacetyl)-4-propan-2-ylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 122437328
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 3200686
2-[(2-chloroacetyl)-cyclopentylamino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 3506765
2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688301
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180640
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 3228313
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 4642384
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
2-[benzyl-(2-chloroacetyl)amino]-2-(4-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 86809954

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide?
The IUPAC name of 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide (CID 53364514) is 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide?
The canonical SMILES for 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide is O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)CCl)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide?
The InChIKey is ZBYQCWGRXAISNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c23-15-20(27)26(19-13-11-17(24)12-14-19)21(16-7-3-1-4-8-16)22(28)25-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21H,2,5-6,9-10,15H2,(H,25,28).
What are the key properties of 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide?
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide has a molecular weight of 402.90 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 53364514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).