2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide

C24H28Cl2N2O2 — CID 86809828

IUPAC2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1
InChIInChI=1S/C24H28Cl2N2O2/c1-17-7-11-19(12-8-17)23(24(30)27-21-5-3-2-4-6-21)28(22(29)15-25)16-18-9-13-20(26)14-10-18/h7-14,21,23H,2-6,15-16H2,1H3,(H,27,30)
InChIKeyMKQNKYYLLHIITP-UHFFFAOYSA-N
MW447.41 g/mol
LogP5.41
Rot. Bonds7

About 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide

2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide (PubChem CID 86809828) has the molecular formula C24H28Cl2N2O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
PubChem CID86809828
Molecular FormulaC24H28Cl2N2O2
Molecular Weight447.41 g/mol
Exact Mass446.15
IUPAC Name2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1
InChIInChI=1S/C24H28Cl2N2O2/c1-17-7-11-19(12-8-17)23(24(30)27-21-5-3-2-4-6-21)28(22(29)15-25)16-18-9-13-20(26)14-10-18/h7-14,21,23H,2-6,15-16H2,1H3,(H,27,30)
InChIKeyMKQNKYYLLHIITP-UHFFFAOYSA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 55.41
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)-[(4-methylphenyl)methyl]amino]-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide
CID 3486904
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
CID 86810132
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 4086572
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 4050473
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441708
2-[(2-chloroacetyl)-[2-(cyclohexen-1-yl)ethyl]amino]-N-cycloheptyl-2-(4-methylphenyl)acetamide
CID 86810056
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
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
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide (CID 86809828) is 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1.
What is the InChIKey of 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
The InChIKey is MKQNKYYLLHIITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2/c1-17-7-11-19(12-8-17)23(24(30)27-21-5-3-2-4-6-21)28(22(29)15-25)16-18-9-13-20(26)14-10-18/h7-14,21,23H,2-6,15-16H2,1H3,(H,27,30).
What are the key properties of 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide has a molecular weight of 447.41 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 86809828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).