N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide

C17H22Cl2N2O2 — CID 108959081

IUPACN-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H22Cl2N2O2/c1-17(2,15(22)20-11-6-4-3-5-7-11)16(23)21-12-8-9-13(18)14(19)10-12/h8-11H,3-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXAMRKVIKKCQBKC-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.41
Rot. Bonds4

About N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide

N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108959081) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108959081
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H22Cl2N2O2/c1-17(2,15(22)20-11-6-4-3-5-7-11)16(23)21-12-8-9-13(18)14(19)10-12/h8-11H,3-7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXAMRKVIKKCQBKC-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968831
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108959081) is N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is XAMRKVIKKCQBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-17(2,15(22)20-11-6-4-3-5-7-11)16(23)21-12-8-9-13(18)14(19)10-12/h8-11H,3-7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide?
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 357.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).