2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide

C17H20F2N2O2 — CID 109132549

IUPAC2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C17H20F2N2O2/c18-13-7-4-8-14(19)15(13)21-17(23)12-9-11(12)16(22)20-10-5-2-1-3-6-10/h4,7-8,10-12H,1-3,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyZFLNSYLDIOYNFL-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.99
Rot. Bonds4

About 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide

2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109132549) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109132549
Molecular FormulaC17H20F2N2O2
Molecular Weight322.35 g/mol
Exact Mass322.15
IUPAC Name2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C17H20F2N2O2/c18-13-7-4-8-14(19)15(13)21-17(23)12-9-11(12)16(22)20-10-5-2-1-3-6-10/h4,7-8,10-12H,1-3,5-6,9H2,(H,20,22)(H,21,23)
InChIKeyZFLNSYLDIOYNFL-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139804
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
2-N-cyclopropyl-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130915
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
2-amino-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 82235722
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144245

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109132549) is 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide is O=C(Nc1c(F)cccc1F)C1CC1C(=O)NC1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is ZFLNSYLDIOYNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-13-7-4-8-14(19)15(13)21-17(23)12-9-11(12)16(22)20-10-5-2-1-3-6-10/h4,7-8,10-12H,1-3,5-6,9H2,(H,20,22)(H,21,23).
What are the key properties of 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 322.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).