1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C20H19F3N2O2 — CID 109141616

IUPAC1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N2O2/c1-11-6-7-12(2)17(8-11)25-19(27)16-10-15(16)18(26)24-14-5-3-4-13(9-14)20(21,22)23/h3-9,15-16H,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGECDEQYWANOZIK-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.54
Rot. Bonds4

About 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109141616) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109141616
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N2O2/c1-11-6-7-12(2)17(8-11)25-19(27)16-10-15(16)18(26)24-14-5-3-4-13(9-14)20(21,22)23/h3-9,15-16H,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGECDEQYWANOZIK-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
2-N-(3-acetylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141618
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
2-N-(3,4-dichlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141641
2-N-(4-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141603
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
2-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140728

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109141616) is 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is Cc1ccc(C)c(NC(=O)C2CC2C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is GECDEQYWANOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-11-6-7-12(2)17(8-11)25-19(27)16-10-15(16)18(26)24-14-5-3-4-13(9-14)20(21,22)23/h3-9,15-16H,10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylphenyl)-2-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).