1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

C24H28Cl2N2O2 — CID 26644708

IUPAC1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28Cl2N2O2/c25-21-9-1-17(2-10-21)13-15-27-23(29)19-5-7-20(8-6-19)24(30)28-16-14-18-3-11-22(26)12-4-18/h1-4,9-12,19-20H,5-8,13-16H2,(H,27,29)(H,28,30)
InChIKeyRZLPLIFLRGBWLE-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.82
Rot. Bonds8

About 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 26644708) has the molecular formula C24H28Cl2N2O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID26644708
Molecular FormulaC24H28Cl2N2O2
Molecular Weight447.41 g/mol
Exact Mass446.15
IUPAC Name1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28Cl2N2O2/c25-21-9-1-17(2-10-21)13-15-27-23(29)19-5-7-20(8-6-19)24(30)28-16-14-18-3-11-22(26)12-4-18/h1-4,9-12,19-20H,5-8,13-16H2,(H,27,29)(H,28,30)
InChIKeyRZLPLIFLRGBWLE-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (CID 26644708) is 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is RZLPLIFLRGBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2/c25-21-9-1-17(2-10-21)13-15-27-23(29)19-5-7-20(8-6-19)24(30)28-16-14-18-3-11-22(26)12-4-18/h1-4,9-12,19-20H,5-8,13-16H2,(H,27,29)(H,28,30).
What are the key properties of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 447.41 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 26644708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).