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

C20H29ClN2O2 — CID 109148482

IUPAC4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN2O2/c1-2-3-6-13-22-19(24)15-9-11-16(12-10-15)20(25)23-14-17-7-4-5-8-18(17)21/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyPTNISRVQHIDDSJ-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.07
Rot. Bonds8

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

4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide (PubChem CID 109148482) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
PubChem CID109148482
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN2O2/c1-2-3-6-13-22-19(24)15-9-11-16(12-10-15)20(25)23-14-17-7-4-5-8-18(17)21/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyPTNISRVQHIDDSJ-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.07
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-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148008
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
1-N-[(2-chlorophenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130448
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
CID 108962686
1-[(2-chlorophenyl)methyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113183631
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
CID 43112541
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide (CID 109148482) is 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide is CCCCCNC(=O)C1CCC(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
The InChIKey is PTNISRVQHIDDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-2-3-6-13-22-19(24)15-9-11-16(12-10-15)20(25)23-14-17-7-4-5-8-18(17)21/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide?
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide has a molecular weight of 364.92 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).