1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide

C15H18F2N2O2 — CID 109139691

IUPAC1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O2/c1-15(2,3)19-14(21)10-7-9(10)13(20)18-8-4-5-11(16)12(17)6-8/h4-6,9-10H,7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJQJFMGGGEHULOK-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.45
Rot. Bonds3

About 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide

1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139691) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139691
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O2/c1-15(2,3)19-14(21)10-7-9(10)13(20)18-8-4-5-11(16)12(17)6-8/h4-6,9-10H,7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJQJFMGGGEHULOK-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798
1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139589
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
2-N-(3,4-difluorophenyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142345
2-N-[(2-chlorophenyl)methyl]-1-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136278
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138987
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109139691) is 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide is CC(C)(C)NC(=O)C1CC1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is JQJFMGGGEHULOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-15(2,3)19-14(21)10-7-9(10)13(20)18-8-4-5-11(16)12(17)6-8/h4-6,9-10H,7H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide?
1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).