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

C18H21F3N2O2 — CID 109139804

IUPAC2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H21F3N2O2/c19-13-7-8-14(16(21)15(13)20)23-18(25)12-9-11(12)17(24)22-10-5-3-1-2-4-6-10/h7-8,10-12H,1-6,9H2,(H,22,24)(H,23,25)
InChIKeyMZPXZNJGKNVTHT-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.52
Rot. Bonds4

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

2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139804) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139804
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H21F3N2O2/c19-13-7-8-14(16(21)15(13)20)23-18(25)12-9-11(12)17(24)22-10-5-3-1-2-4-6-10/h7-8,10-12H,1-6,9H2,(H,22,24)(H,23,25)
InChIKeyMZPXZNJGKNVTHT-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.52
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

2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144245
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
1-cyclopentyl-3-(2,3,4-trifluorophenyl)thiourea
CID 116507277
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132141
2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109051962
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109139804) is 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)NC1CCCCCC1.
What is the InChIKey of 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is MZPXZNJGKNVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c19-13-7-8-14(16(21)15(13)20)23-18(25)12-9-11(12)17(24)22-10-5-3-1-2-4-6-10/h7-8,10-12H,1-6,9H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).