2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide

C23H25Cl3N2O2 — CID 4230737

IUPAC2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
SMILESCc1ccc(Cl)cc1N(C(=O)CCl)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl3N2O2/c1-15-7-10-18(26)13-20(15)28(21(29)14-24)22(16-8-11-17(25)12-9-16)23(30)27-19-5-3-2-4-6-19/h7-13,19,22H,2-6,14H2,1H3,(H,27,30)
InChIKeyVKEDKDPJPHNQJZ-UHFFFAOYSA-N
MW467.82 g/mol
LogP6.06
Rot. Bonds6

About 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide

2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide (PubChem CID 4230737) has the molecular formula C23H25Cl3N2O2 and a molecular weight of 467.82 g/mol. Its IUPAC name is 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
PubChem CID4230737
Molecular FormulaC23H25Cl3N2O2
Molecular Weight467.82 g/mol
Exact Mass466.10
IUPAC Name2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
SMILESCc1ccc(Cl)cc1N(C(=O)CCl)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl3N2O2/c1-15-7-10-18(26)13-20(15)28(21(29)14-24)22(16-8-11-17(25)12-9-16)23(30)27-19-5-3-2-4-6-19/h7-13,19,22H,2-6,14H2,1H3,(H,27,30)
InChIKeyVKEDKDPJPHNQJZ-UHFFFAOYSA-N
XLogP6.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.82
LogP ≤ 56.06
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-(N-(2-chloroacetyl)-4-propan-2-ylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 122437328
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 86809828
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 51439690
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
CID 86810132
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441708
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
(2S)-2-(N-(2-chloroacetyl)-2,4-dimethoxyanilino)-2-(4-chlorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 99736633
(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 25314421
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 86810073
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The IUPAC name of 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide (CID 4230737) is 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide is Cc1ccc(Cl)cc1N(C(=O)CCl)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The InChIKey is VKEDKDPJPHNQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O2/c1-15-7-10-18(26)13-20(15)28(21(29)14-24)22(16-8-11-17(25)12-9-16)23(30)27-19-5-3-2-4-6-19/h7-13,19,22H,2-6,14H2,1H3,(H,27,30).
What are the key properties of 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide has a molecular weight of 467.82 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide is sourced from PubChem (CID 4230737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).