2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

C25H29Cl3N2O2 — CID 86809761

IUPAC2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)C(c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C25H29Cl3N2O2/c1-17-4-2-3-5-22(17)29-25(32)24(19-8-12-21(28)13-9-19)30(23(31)16-26)15-14-18-6-10-20(27)11-7-18/h6-13,17,22,24H,2-5,14-16H2,1H3,(H,29,32)
InChIKeyBRVSRODHJWIGMN-UHFFFAOYSA-N
MW495.88 g/mol
LogP6.04
Rot. Bonds8

About 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 86809761) has the molecular formula C25H29Cl3N2O2 and a molecular weight of 495.88 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
PubChem CID86809761
Molecular FormulaC25H29Cl3N2O2
Molecular Weight495.88 g/mol
Exact Mass494.13
IUPAC Name2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)C(c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C25H29Cl3N2O2/c1-17-4-2-3-5-22(17)29-25(32)24(19-8-12-21(28)13-9-19)30(23(31)16-26)15-14-18-6-10-20(27)11-7-18/h6-13,17,22,24H,2-5,14-16H2,1H3,(H,29,32)
InChIKeyBRVSRODHJWIGMN-UHFFFAOYSA-N
XLogP6.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 56.04
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

(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
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
CID 86810132
(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-2-(2-chlorophenyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 92912376
2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 86809765
(2S)-2-[(2-chloroacetyl)-[2-(4-methylphenyl)ethyl]amino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)acetamide
CID 92917116
(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)-[(4-chlorophenyl)methyl]amino]-2-(2-chlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 100910111
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 86810073
(2S)-2-(N-(2-chloroacetyl)-2,4-dimethoxyanilino)-2-(4-chlorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 99736633
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 86809828

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide (CID 86809761) is 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)C(c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is BRVSRODHJWIGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl3N2O2/c1-17-4-2-3-5-22(17)29-25(32)24(19-8-12-21(28)13-9-19)30(23(31)16-26)15-14-18-6-10-20(27)11-7-18/h6-13,17,22,24H,2-5,14-16H2,1H3,(H,29,32).
What are the key properties of 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide?
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 495.88 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 86809761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).