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

C14H15F3N2O3 — CID 109133081

IUPAC2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H15F3N2O3/c1-22-5-4-18-13(20)7-6-8(7)14(21)19-10-3-2-9(15)11(16)12(10)17/h2-3,7-8H,4-6H2,1H3,(H,18,20)(H,19,21)
InChIKeyQMQQAHMCDMDMOG-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.44
Rot. Bonds6

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

2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133081) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133081
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H15F3N2O3/c1-22-5-4-18-13(20)7-6-8(7)14(21)19-10-3-2-9(15)11(16)12(10)17/h2-3,7-8H,4-6H2,1H3,(H,18,20)(H,19,21)
InChIKeyQMQQAHMCDMDMOG-UHFFFAOYSA-N
XLogP1.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133069
2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136641
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144245
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139804
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133257

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109133081) is 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is COCCNC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is QMQQAHMCDMDMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-22-5-4-18-13(20)7-6-8(7)14(21)19-10-3-2-9(15)11(16)12(10)17/h2-3,7-8H,4-6H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).