4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide

C18H24Cl2N2O2 — CID 109145381

IUPAC4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-11(2)10-21-17(23)12-3-5-13(6-4-12)18(24)22-16-9-14(19)7-8-15(16)20/h7-9,11-13H,3-6,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBHIWCLUEZOUXHA-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.51
Rot. Bonds5

About 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide

4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145381) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145381
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-11(2)10-21-17(23)12-3-5-13(6-4-12)18(24)22-16-9-14(19)7-8-15(16)20/h7-9,11-13H,3-6,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBHIWCLUEZOUXHA-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145385
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145328
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 4928756
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (CID 109145381) is 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is CC(C)CNC(=O)C1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BHIWCLUEZOUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-11(2)10-21-17(23)12-3-5-13(6-4-12)18(24)22-16-9-14(19)7-8-15(16)20/h7-9,11-13H,3-6,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 371.31 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).