2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide

C22H31ClN2O2 — CID 4276966

IUPAC2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)C2CCCC2)cc1
InChIInChI=1S/C22H31ClN2O2/c1-16-11-13-17(14-12-16)21(22(27)24-18-7-3-2-4-8-18)25(20(26)15-23)19-9-5-6-10-19/h11-14,18-19,21H,2-10,15H2,1H3,(H,24,27)
InChIKeyBGQMYPJCFBEQFH-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.50
Rot. Bonds6

About 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide

2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide (PubChem CID 4276966) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
PubChem CID4276966
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)C2CCCC2)cc1
InChIInChI=1S/C22H31ClN2O2/c1-16-11-13-17(14-12-16)21(22(27)24-18-7-3-2-4-8-18)25(20(26)15-23)19-9-5-6-10-19/h11-14,18-19,21H,2-10,15H2,1H3,(H,24,27)
InChIKeyBGQMYPJCFBEQFH-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.50
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)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709
2-[(2-chloroacetyl)-cyclopentylamino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 3506765
2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688301
2-[(2-chloroacetyl)-cyclopropylamino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3540354
2-[(2-chloroacetyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276965
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 86809828
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopentylfuran-2-carboxamide
CID 7130291
2-[(2-chloroacetyl)-[2-(cyclohexen-1-yl)ethyl]amino]-N-cycloheptyl-2-(4-methylphenyl)acetamide
CID 86810056
N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 1441726
2-(N-(2-chloroacetyl)-4-propan-2-ylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 122437328
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 4086572
tert-butyl N-[1-[cyclobutyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18034813

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide (CID 4276966) is 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)C2CCCC2)cc1.
What is the InChIKey of 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
The InChIKey is BGQMYPJCFBEQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c1-16-11-13-17(14-12-16)21(22(27)24-18-7-3-2-4-8-18)25(20(26)15-23)19-9-5-6-10-19/h11-14,18-19,21H,2-10,15H2,1H3,(H,24,27).
What are the key properties of 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide?
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide has a molecular weight of 390.96 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 4276966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).