1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

C21H22F2N2O2 — CID 108982192

IUPAC1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N2O2/c1-12(2)15-6-4-5-13(3)18(15)25-20(27)21(9-10-21)19(26)24-17-8-7-14(22)11-16(17)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHETOXFJZBQETJQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.75
Rot. Bonds5

About 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982192) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982192
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N2O2/c1-12(2)15-6-4-5-13(3)18(15)25-20(27)21(9-10-21)19(26)24-17-8-7-14(22)11-16(17)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHETOXFJZBQETJQ-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.75
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-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-N-(3-chloro-4-fluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982168
1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982167
methyl 2-[[1-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982184
1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80592389
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096
1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981437
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822704
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
1-N-(1,3-benzodioxol-5-yl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982189
1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108982192) is 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HETOXFJZBQETJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-12(2)15-6-4-5-13(3)18(15)25-20(27)21(9-10-21)19(26)24-17-8-7-14(22)11-16(17)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).