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

C23H25Cl3N2O2 — CID 86810132

IUPAC2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C23H25Cl3N2O2/c24-15-21(29)28(14-13-16-5-9-18(25)10-6-16)22(17-7-11-19(26)12-8-17)23(30)27-20-3-1-2-4-20/h5-12,20,22H,1-4,13-15H2,(H,27,30)
InChIKeyKRMWBCIRMGNKFT-UHFFFAOYSA-N
MW467.82 g/mol
LogP5.40
Rot. Bonds8

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

2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide (PubChem CID 86810132) has the molecular formula C23H25Cl3N2O2 and a molecular weight of 467.82 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
PubChem CID86810132
Molecular FormulaC23H25Cl3N2O2
Molecular Weight467.82 g/mol
Exact Mass466.10
IUPAC Name2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)N(CCc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C23H25Cl3N2O2/c24-15-21(29)28(14-13-16-5-9-18(25)10-6-16)22(17-7-11-19(26)12-8-17)23(30)27-20-3-1-2-4-20/h5-12,20,22H,1-4,13-15H2,(H,27,30)
InChIKeyKRMWBCIRMGNKFT-UHFFFAOYSA-N
XLogP5.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.82
LogP ≤ 55.40
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)-[2-(4-chlorophenyl)ethyl]amino]-N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 86810073
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 86809761
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 86809828
2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3215233
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709
(2S)-2-[(2-chloroacetyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cycloheptyl-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 98364235
2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162533663
2-[(2-chloroacetyl)-(2-phenylethyl)amino]-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 4642658
2-[(2-chloroacetyl)-[2-(cyclohexen-1-yl)ethyl]amino]-N-cycloheptyl-2-(4-methylphenyl)acetamide
CID 86810056
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441708
(2S)-2-[(2-chloroacetyl)-[2-(2-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 100910081

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide (CID 86810132) is 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide is O=C(NC1CCCC1)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-cyclopentylacetamide?
The InChIKey is KRMWBCIRMGNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O2/c24-15-21(29)28(14-13-16-5-9-18(25)10-6-16)22(17-7-11-19(26)12-8-17)23(30)27-20-3-1-2-4-20/h5-12,20,22H,1-4,13-15H2,(H,27,30).
What are the key properties of 2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide?
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide has a molecular weight of 467.82 g/mol, XLogP of 5.40, 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-cyclopentylacetamide is sourced from PubChem (CID 86810132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).