2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide

C22H30Cl2N2O2 — CID 3441709

IUPAC2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C22H30Cl2N2O2/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)
InChIKeyKRDMRVNJMPLJIQ-UHFFFAOYSA-N
MW425.40 g/mol
LogP5.23
Rot. Bonds6

About 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide

2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide (PubChem CID 3441709) has the molecular formula C22H30Cl2N2O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
PubChem CID3441709
Molecular FormulaC22H30Cl2N2O2
Molecular Weight425.40 g/mol
Exact Mass424.17
IUPAC Name2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C22H30Cl2N2O2/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)
InChIKeyKRDMRVNJMPLJIQ-UHFFFAOYSA-N
XLogP5.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.40
LogP ≤ 55.23
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-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
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)-cyclopropylamino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3540354
2-(N-(2-chloroacetyl)-4-propan-2-ylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 122437328
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
CID 86810132
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 86809828
2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 4230737
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441708
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 86810073

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide (CID 3441709) is 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide is O=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N(C(=O)CCl)C1CCCCC1.
What is the InChIKey of 2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The InChIKey is KRDMRVNJMPLJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N2O2/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]-2-(4-chlorophenyl)-N-cyclohexylacetamide?
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide has a molecular weight of 425.40 g/mol, XLogP of 5.23, 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]-2-(4-chlorophenyl)-N-cyclohexylacetamide is sourced from PubChem (CID 3441709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).