4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide

C23H27ClN2O2 — CID 109148273

IUPAC4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C23H27ClN2O2/c1-26(16-17-7-3-2-4-8-17)23(28)19-13-11-18(12-14-19)22(27)25-15-20-9-5-6-10-21(20)24/h2-10,18-19H,11-16H2,1H3,(H,25,27)
InChIKeyQDSBILIZCYKRGN-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.42
Rot. Bonds6

About 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide

4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 109148273) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID109148273
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C23H27ClN2O2/c1-26(16-17-7-3-2-4-8-17)23(28)19-13-11-18(12-14-19)22(27)25-15-20-9-5-6-10-21(20)24/h2-10,18-19H,11-16H2,1H3,(H,25,27)
InChIKeyQDSBILIZCYKRGN-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 47173784
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148018

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide (CID 109148273) is 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is QDSBILIZCYKRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-26(16-17-7-3-2-4-8-17)23(28)19-13-11-18(12-14-19)22(27)25-15-20-9-5-6-10-21(20)24/h2-10,18-19H,11-16H2,1H3,(H,25,27).
What are the key properties of 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 398.93 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).