N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide

C19H24F2N2O2 — CID 108959420

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCC1=CCCCC1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H24F2N2O2/c1-19(2,17(24)22-11-10-13-6-4-3-5-7-13)18(25)23-16-9-8-14(20)12-15(16)21/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKOBYXAOJWBBBAR-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108959420) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108959420
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCC1=CCCCC1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H24F2N2O2/c1-19(2,17(24)22-11-10-13-6-4-3-5-7-13)18(25)23-16-9-8-14(20)12-15(16)21/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKOBYXAOJWBBBAR-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197335
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402
1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 47223223
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109323362
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108959301
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210295

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide (CID 108959420) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCC1=CCCCC1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is KOBYXAOJWBBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-19(2,17(24)22-11-10-13-6-4-3-5-7-13)18(25)23-16-9-8-14(20)12-15(16)21/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 350.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).