1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide

C19H22F2N2O2 — CID 108972660

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H22F2N2O2/c20-14-7-4-8-15(21)16(14)23-18(25)19(10-11-19)17(24)22-12-9-13-5-2-1-3-6-13/h4-5,7-8H,1-3,6,9-12H2,(H,22,24)(H,23,25)
InChIKeyJKOIFJDZCZICHD-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.69
Rot. Bonds6

About 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972660) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972660
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H22F2N2O2/c20-14-7-4-8-15(21)16(14)23-18(25)19(10-11-19)17(24)22-12-9-13-5-2-1-3-6-13/h4-5,7-8H,1-3,6,9-12H2,(H,22,24)(H,23,25)
InChIKeyJKOIFJDZCZICHD-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.69
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

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-difluorophenyl)thiourea
CID 100601941
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972581
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972624
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972648
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972632
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972635
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(diethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972633
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972578
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
CID 109275648

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108972660) is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide is O=C(NCCC1=CCCCC1)C1(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is JKOIFJDZCZICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-14-7-4-8-15(21)16(14)23-18(25)19(10-11-19)17(24)22-12-9-13-5-2-1-3-6-13/h4-5,7-8H,1-3,6,9-12H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 348.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).