4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide

C23H27ClN2O2 — CID 109148994

IUPAC4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C23H27ClN2O2/c1-16-7-12-20(24)15-21(16)26-23(28)19-10-8-18(9-11-19)22(27)25-14-13-17-5-3-2-4-6-17/h2-7,12,15,18-19H,8-11,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyBAEBLXQIAGSODB-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.75
Rot. Bonds6

About 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide

4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148994) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148994
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C23H27ClN2O2/c1-16-7-12-20(24)15-21(16)26-23(28)19-10-8-18(9-11-19)22(27)25-14-13-17-5-3-2-4-6-17/h2-7,12,15,18-19H,8-11,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyBAEBLXQIAGSODB-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149008
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149171
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (CID 109148994) is 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BAEBLXQIAGSODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-16-7-12-20(24)15-21(16)26-23(28)19-10-8-18(9-11-19)22(27)25-14-13-17-5-3-2-4-6-17/h2-7,12,15,18-19H,8-11,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 398.93 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).