4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide

C17H22Cl2N2O3 — CID 109146575

IUPAC4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-24-9-8-20-16(22)11-2-4-12(5-3-11)17(23)21-15-7-6-13(18)10-14(15)19/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyCUNZTYKHAUHKSW-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.50
Rot. Bonds6

About 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide

4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146575) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146575
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c1-24-9-8-20-16(22)11-2-4-12(5-3-11)17(23)21-15-7-6-13(18)10-14(15)19/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyCUNZTYKHAUHKSW-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
1-N-(2-methoxyethyl)-4-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146508

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide (CID 109146575) is 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide is COCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is CUNZTYKHAUHKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c1-24-9-8-20-16(22)11-2-4-12(5-3-11)17(23)21-15-7-6-13(18)10-14(15)19/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 373.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).