1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide

C22H22ClN3O2 — CID 109151001

IUPAC1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cl
InChIInChI=1S/C22H22ClN3O2/c1-14-5-10-19(12-20(14)23)26-22(28)17-8-6-16(7-9-17)21(27)25-18-4-2-3-15(11-18)13-24/h2-5,10-12,16-17H,6-9H2,1H3,(H,25,27)(H,26,28)
InChIKeyGIIDLIGGAZZNJJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.90
Rot. Bonds4

About 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide

1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151001) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151001
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cl
InChIInChI=1S/C22H22ClN3O2/c1-14-5-10-19(12-20(14)23)26-22(28)17-8-6-16(7-9-17)21(27)25-18-4-2-3-15(11-18)13-24/h2-5,10-12,16-17H,6-9H2,1H3,(H,25,27)(H,26,28)
InChIKeyGIIDLIGGAZZNJJ-UHFFFAOYSA-N
XLogP4.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729
N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 100780352
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
CID 112989923
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide (CID 109151001) is 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GIIDLIGGAZZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14-5-10-19(12-20(14)23)26-22(28)17-8-6-16(7-9-17)21(27)25-18-4-2-3-15(11-18)13-24/h2-5,10-12,16-17H,6-9H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide?
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).