1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide

C20H19F3N2O2 — CID 108981339

IUPAC1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C20H19F3N2O2/c1-12-3-4-13(2)16(11-12)25-18(27)19(9-10-19)17(26)24-15-7-5-14(6-8-15)20(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGTPPQZQCYBKDLC-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.68
Rot. Bonds4

About 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide

1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108981339) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
PubChem CID108981339
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C20H19F3N2O2/c1-12-3-4-13(2)16(11-12)25-18(27)19(9-10-19)17(26)24-15-7-5-14(6-8-15)20(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGTPPQZQCYBKDLC-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-bromophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981325
1-N'-(3-methylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108980789
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981349
1-N-[(4-methylphenyl)methyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975302
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
1-N-(4-tert-butylphenyl)-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981391
1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981261
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
1-N-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
1-N-(4-tert-butylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980760

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (CID 108981339) is 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is Cc1ccc(C)c(NC(=O)C2(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is GTPPQZQCYBKDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12-3-4-13(2)16(11-12)25-18(27)19(9-10-19)17(26)24-15-7-5-14(6-8-15)20(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2,5-dimethylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.68, 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)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).