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

C20H29ClN2O2 — CID 109149844

IUPAC4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C20H29ClN2O2/c1-3-4-5-13-22-19(24)15-9-11-16(12-10-15)20(25)23-18-8-6-7-17(21)14(18)2/h6-8,15-16H,3-5,9-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCCPVBKYUMZCPCJ-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.70
Rot. Bonds7

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

4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide (PubChem CID 109149844) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
PubChem CID109149844
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C20H29ClN2O2/c1-3-4-5-13-22-19(24)15-9-11-16(12-10-15)20(25)23-18-8-6-7-17(21)14(18)2/h6-8,15-16H,3-5,9-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCCPVBKYUMZCPCJ-UHFFFAOYSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147112
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
1-(3-chloro-2-methylphenyl)-3-dodecylthiourea
CID 19651379
1-(3-chloro-2-methylphenyl)-3-heptylthiourea
CID 19650849
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123
N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113007215

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide (CID 109149844) is 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide is CCCCCNC(=O)C1CCC(C(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
The InChIKey is CCPVBKYUMZCPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-3-4-5-13-22-19(24)15-9-11-16(12-10-15)20(25)23-18-8-6-7-17(21)14(18)2/h6-8,15-16H,3-5,9-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide?
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide has a molecular weight of 364.92 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).