1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

C18H24Cl2N2O2 — CID 109149500

IUPAC1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-22(4-2)18(24)13-7-5-12(6-8-13)17(23)21-16-10-14(19)9-15(20)11-16/h9-13H,3-8H2,1-2H3,(H,21,23)
InChIKeyKCEGFHCHIKMJAL-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.61
Rot. Bonds5

About 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (PubChem CID 109149500) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
PubChem CID109149500
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-22(4-2)18(24)13-7-5-12(6-8-13)17(23)21-16-10-14(19)9-15(20)11-16/h9-13H,3-8H2,1-2H3,(H,21,23)
InChIKeyKCEGFHCHIKMJAL-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149494
1-N-(4-tert-butylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149437
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149490
methyl 4-chloro-3-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149474
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
CID 55911674
N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane
CID 159362022

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (CID 109149500) is 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is CCN(CC)C(=O)C1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The InChIKey is KCEGFHCHIKMJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-3-22(4-2)18(24)13-7-5-12(6-8-13)17(23)21-16-10-14(19)9-15(20)11-16/h9-13H,3-8H2,1-2H3,(H,21,23).
What are the key properties of 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide has a molecular weight of 371.31 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).