N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide

C17H23ClN2O2 — CID 108959020

IUPACN-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1cccc(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,15(21)19-13-8-4-3-5-9-13)16(22)20-14-10-6-7-12(18)11-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGNZMDRGOVAIJBQ-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.75
Rot. Bonds4

About N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide

N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide (PubChem CID 108959020) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
PubChem CID108959020
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1cccc(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,15(21)19-13-8-4-3-5-9-13)16(22)20-14-10-6-7-12(18)11-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGNZMDRGOVAIJBQ-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.75
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-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide (CID 108959020) is N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1cccc(Cl)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The InChIKey is GNZMDRGOVAIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-17(2,15(21)19-13-8-4-3-5-9-13)16(22)20-14-10-6-7-12(18)11-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide has a molecular weight of 322.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).