1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide

C22H25ClN2O2 — CID 109150532

IUPAC1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-15-19(23)9-6-10-20(15)24-21(26)16-11-13-17(14-12-16)22(27)25(2)18-7-4-3-5-8-18/h3-10,16-17H,11-14H2,1-2H3,(H,24,26)
InChIKeyXWMFAAOPOULNJO-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.06
Rot. Bonds4

About 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide

1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109150532) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109150532
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-15-19(23)9-6-10-20(15)24-21(26)16-11-13-17(14-12-16)22(27)25(2)18-7-4-3-5-8-18/h3-10,16-17H,11-14H2,1-2H3,(H,24,26)
InChIKeyXWMFAAOPOULNJO-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chloro-2-methylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141236
4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147112
4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150526
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150541
N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 46485912

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide (CID 109150532) is 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide is Cc1c(Cl)cccc1NC(=O)C1CCC(C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is XWMFAAOPOULNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-19(23)9-6-10-20(15)24-21(26)16-11-13-17(14-12-16)22(27)25(2)18-7-4-3-5-8-18/h3-10,16-17H,11-14H2,1-2H3,(H,24,26).
What are the key properties of 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide?
1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 384.91 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).