2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C20H18F4N2O2 — CID 109137657

IUPAC2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1F)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F4N2O2/c21-17-7-2-1-4-12(17)8-9-25-18(27)15-11-16(15)19(28)26-14-6-3-5-13(10-14)20(22,23)24/h1-7,10,15-16H,8-9,11H2,(H,25,27)(H,26,28)
InChIKeySYGDQUQPYUXLSC-UHFFFAOYSA-N
MW394.37 g/mol
LogP3.78
Rot. Bonds6

About 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109137657) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109137657
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1F)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F4N2O2/c21-17-7-2-1-4-12(17)8-9-25-18(27)15-11-16(15)19(28)26-14-6-3-5-13(10-14)20(22,23)24/h1-7,10,15-16H,8-9,11H2,(H,25,27)(H,26,28)
InChIKeySYGDQUQPYUXLSC-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137659
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132859
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136961
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137606
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
1-N-[(2-fluorophenyl)methyl]-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975735
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141616
1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135936
N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109137657) is 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is O=C(NCCc1ccccc1F)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is SYGDQUQPYUXLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c21-17-7-2-1-4-12(17)8-9-25-18(27)15-11-16(15)19(28)26-14-6-3-5-13(10-14)20(22,23)24/h1-7,10,15-16H,8-9,11H2,(H,25,27)(H,26,28).
What are the key properties of 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 394.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).