N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide

C17H22Cl2N2O2 — CID 2818715

IUPACN'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide
SMILESCC1CC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C17H22Cl2N2O2/c1-10-6-12(9-17(2,3)8-10)20-15(22)16(23)21-14-5-4-11(18)7-13(14)19/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMMCRHYZCKYOZDK-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.26
Rot. Bonds2

About N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide

N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide (PubChem CID 2818715) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide
PubChem CID2818715
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide
SMILESCC1CC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C17H22Cl2N2O2/c1-10-6-12(9-17(2,3)8-10)20-15(22)16(23)21-14-5-4-11(18)7-13(14)19/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMMCRHYZCKYOZDK-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide (CID 2818715) is N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide is CC1CC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC(C)(C)C1.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide?
The InChIKey is MMCRHYZCKYOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-10-6-12(9-17(2,3)8-10)20-15(22)16(23)21-14-5-4-11(18)7-13(14)19/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide?
N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide has a molecular weight of 357.28 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-N-(3,3,5-trimethylcyclohexyl)oxamide is sourced from PubChem (CID 2818715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).