1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide

C17H11F5N2O2 — CID 109144245

IUPAC1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H11F5N2O2/c18-9-4-5-12(14(22)13(9)21)23-16(25)7-6-8(7)17(26)24-15-10(19)2-1-3-11(15)20/h1-5,7-8H,6H2,(H,23,25)(H,24,26)
InChIKeyRDEBRGBUINNHSV-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.60
Rot. Bonds4

About 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide

1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109144245) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109144245
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Name1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H11F5N2O2/c18-9-4-5-12(14(22)13(9)21)23-16(25)7-6-8(7)17(26)24-15-10(19)2-1-3-11(15)20/h1-5,7-8H,6H2,(H,23,25)(H,24,26)
InChIKeyRDEBRGBUINNHSV-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098
2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139804
2-amino-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 82235722
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133081
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144039
1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142279
2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136641

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109144245) is 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RDEBRGBUINNHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c18-9-4-5-12(14(22)13(9)21)23-16(25)7-6-8(7)17(26)24-15-10(19)2-1-3-11(15)20/h1-5,7-8H,6H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 370.28 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109144245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).