1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide

C20H19F3N2O2 — CID 108982076

IUPAC1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-11(2)12-3-5-13(6-4-12)24-18(26)20(9-10-20)19(27)25-15-8-7-14(21)16(22)17(15)23/h3-8,11H,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWDQGKLZPSMCVAI-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.58
Rot. Bonds5

About 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide

1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982076) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982076
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C20H19F3N2O2/c1-11(2)12-3-5-13(6-4-12)24-18(26)20(9-10-20)19(27)25-15-8-7-14(21)16(22)17(15)23/h3-8,11H,9-10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWDQGKLZPSMCVAI-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-phenyl-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980631
1-N'-(2,4-dimethylphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981229
1-N-(3-methylbutyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979741
1-N-(2,4-dimethylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108981295
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982042
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 80591266
1-N'-(2,4-difluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983273
1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982167
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108982076) is 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide is CC(C)c1ccc(NC(=O)C2(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1.
What is the InChIKey of 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WDQGKLZPSMCVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-11(2)12-3-5-13(6-4-12)24-18(26)20(9-10-20)19(27)25-15-8-7-14(21)16(22)17(15)23/h3-8,11H,9-10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-propan-2-ylphenyl)-1-N'-(2,3,4-trifluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).