2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C20H23F3N2O2 — CID 109132859

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)14-7-4-8-15(11-14)25-19(27)17-12-16(17)18(26)24-10-9-13-5-2-1-3-6-13/h4-5,7-8,11,16-17H,1-3,6,9-10,12H2,(H,24,26)(H,25,27)
InChIKeyJUDJZMLCZJISSP-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.29
Rot. Bonds6

About 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109132859) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109132859
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)14-7-4-8-15(11-14)25-19(27)17-12-16(17)18(26)24-10-9-13-5-2-1-3-6-13/h4-5,7-8,11,16-17H,1-3,6,9-10,12H2,(H,24,26)(H,25,27)
InChIKeyJUDJZMLCZJISSP-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.29
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-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109137657
1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132874
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
1-N-(2-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132835
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132844
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188623
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109132859) is 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is O=C(NCCC1=CCCCC1)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is JUDJZMLCZJISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)14-7-4-8-15(11-14)25-19(27)17-12-16(17)18(26)24-10-9-13-5-2-1-3-6-13/h4-5,7-8,11,16-17H,1-3,6,9-10,12H2,(H,24,26)(H,25,27).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).