2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C20H19F3N2O3 — CID 109136490

IUPAC2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CC1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-28-17-5-3-2-4-12(17)11-24-18(26)15-10-16(15)19(27)25-14-8-6-13(7-9-14)20(21,22)23/h2-9,15-16H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyYRTOIBGJCYWZAY-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.61
Rot. Bonds6

About 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109136490) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109136490
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccccc1CNC(=O)C1CC1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-28-17-5-3-2-4-12(17)11-24-18(26)15-10-16(15)19(27)25-14-8-6-13(7-9-14)20(21,22)23/h2-9,15-16H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyYRTOIBGJCYWZAY-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
1-N-(2,4-difluorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136506
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143378
2-N-(2-methoxyethyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132921
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
1-N-(2,3-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136513
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
1-N-(2,5-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136510
1-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130758
1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135936
N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681294

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109136490) is 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is COc1ccccc1CNC(=O)C1CC1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is YRTOIBGJCYWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-28-17-5-3-2-4-12(17)11-24-18(26)15-10-16(15)19(27)25-14-8-6-13(7-9-14)20(21,22)23/h2-9,15-16H,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).