2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

C22H30ClFN2O2 — CID 4688301

IUPAC2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C22H30ClFN2O2/c23-15-20(27)26(19-9-5-2-6-10-19)21(16-11-13-17(24)14-12-16)22(28)25-18-7-3-1-4-8-18/h11-14,18-19,21H,1-10,15H2,(H,25,28)
InChIKeyZQJLQFGDTCVSTH-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.72
Rot. Bonds6

About 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (PubChem CID 4688301) has the molecular formula C22H30ClFN2O2 and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
PubChem CID4688301
Molecular FormulaC22H30ClFN2O2
Molecular Weight408.95 g/mol
Exact Mass408.20
IUPAC Name2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C22H30ClFN2O2/c23-15-20(27)26(19-9-5-2-6-10-19)21(16-11-13-17(24)14-12-16)22(28)25-18-7-3-1-4-8-18/h11-14,18-19,21H,1-10,15H2,(H,25,28)
InChIKeyZQJLQFGDTCVSTH-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.72
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-[(2-chloroacetyl)-cyclopentylamino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 3506765
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
2-[(2-chloroacetyl)-cyclopropylamino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3540354
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688312
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-1,2-thiazole-3-carboxamide
CID 3197070
2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 4109390
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
CID 25458631
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 3900369
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (CID 4688301) is 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(C(=O)CCl)C1CCCCC1.
What is the InChIKey of 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The InChIKey is ZQJLQFGDTCVSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClFN2O2/c23-15-20(27)26(19-9-5-2-6-10-19)21(16-11-13-17(24)14-12-16)22(28)25-18-7-3-1-4-8-18/h11-14,18-19,21H,1-10,15H2,(H,25,28).
What are the key properties of 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide has a molecular weight of 408.95 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4688301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).