3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide

C18H24FN3O2 — CID 71973858

IUPAC3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)c(NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H24FN3O2/c1-22(2)17(23)14-8-9-15(19)16(12-14)21-18(24)20-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyPYRZJFVJVVGBDI-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.54
Rot. Bonds5

About 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide

3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide (PubChem CID 71973858) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
PubChem CID71973858
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)c(NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H24FN3O2/c1-22(2)17(23)14-8-9-15(19)16(12-14)21-18(24)20-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyPYRZJFVJVVGBDI-UHFFFAOYSA-N
XLogP3.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-difluorophenyl)urea
CID 23827995
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
1-(2-bromo-4-fluorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 47223223
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31671944
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
CID 3772878
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide (CID 71973858) is 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(F)c(NC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide?
The InChIKey is PYRZJFVJVVGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-22(2)17(23)14-8-9-15(19)16(12-14)21-18(24)20-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H2,20,21,24).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide?
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 71973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).