(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C26H32Cl2N2O2 — CID 92912376

IUPAC(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1
InChIInChI=1S/C26H32Cl2N2O2/c1-18-11-13-20(14-12-18)15-16-30(24(31)17-27)25(21-8-4-5-9-22(21)28)26(32)29-23-10-6-3-7-19(23)2/h4-5,8-9,11-14,19,23,25H,3,6-7,10,15-17H2,1-2H3,(H,29,32)/t19-,23+,25-/m0/s1
InChIKeyFJOGJWYBWMGSJF-CYSDGLOUSA-N
MW475.46 g/mol
LogP5.69
Rot. Bonds8

About (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 92912376) has the molecular formula C26H32Cl2N2O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID92912376
Molecular FormulaC26H32Cl2N2O2
Molecular Weight475.46 g/mol
Exact Mass474.18
IUPAC Name(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1
InChIInChI=1S/C26H32Cl2N2O2/c1-18-11-13-20(14-12-18)15-16-30(24(31)17-27)25(21-8-4-5-9-22(21)28)26(32)29-23-10-6-3-7-19(23)2/h4-5,8-9,11-14,19,23,25H,3,6-7,10,15-17H2,1-2H3,(H,29,32)/t19-,23+,25-/m0/s1
InChIKeyFJOGJWYBWMGSJF-CYSDGLOUSA-N
XLogP5.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-2-(2-chlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 100910111
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 86809761
2-[(2-chloroacetyl)-[2-(1H-indol-3-yl)ethyl]amino]-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 86809811
(2R)-2-[(2-chloroacetyl)-(2-phenylethyl)amino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 99735855
2-[(2-chloroacetyl)-(2-phenylethyl)amino]-N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)acetamide
CID 86809877
(2S)-2-[(2-chloroacetyl)-[2-(2-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 100910081
(2S)-2-[(2-chloroacetyl)-[2-(2-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 100910080
(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)acetamide
CID 92917116
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 4086572
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
CID 86810132
2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 86809765
2-[(2-chloroacetyl)-(2-phenylethyl)amino]-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 4642658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 92912376) is (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide is Cc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is FJOGJWYBWMGSJF-CYSDGLOUSA-N. The full InChI is InChI=1S/C26H32Cl2N2O2/c1-18-11-13-20(14-12-18)15-16-30(24(31)17-27)25(21-8-4-5-9-22(21)28)26(32)29-23-10-6-3-7-19(23)2/h4-5,8-9,11-14,19,23,25H,3,6-7,10,15-17H2,1-2H3,(H,29,32)/t19-,23+,25-/m0/s1.
What are the key properties of (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 475.46 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 92912376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).