1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide

C17H12Cl2F2N2O2 — CID 108983822

IUPAC1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H12Cl2F2N2O2/c18-9-3-1-4-10(19)13(9)22-15(24)17(7-8-17)16(25)23-14-11(20)5-2-6-12(14)21/h1-6H,7-8H2,(H,22,24)(H,23,25)
InChIKeyGVTGDXGZVXSFNT-UHFFFAOYSA-N
MW385.20 g/mol
LogP4.63
Rot. Bonds4

About 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983822) has the molecular formula C17H12Cl2F2N2O2 and a molecular weight of 385.20 g/mol. Its IUPAC name is 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108983822
Molecular FormulaC17H12Cl2F2N2O2
Molecular Weight385.20 g/mol
Exact Mass384.02
IUPAC Name1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H12Cl2F2N2O2/c18-9-3-1-4-10(19)13(9)22-15(24)17(7-8-17)16(25)23-14-11(20)5-2-6-12(14)21/h1-6H,7-8H2,(H,22,24)(H,23,25)
InChIKeyGVTGDXGZVXSFNT-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 54.63
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'-(2,6-dichlorophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975902
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982670
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982906
N-(2,6-dichlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80594224
1-N-(4-tert-butylphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982284
1-N'-(2,6-dichlorophenyl)-1-N-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981286
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983820
1-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715
1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983885
1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975759
1-N'-(2,6-difluorophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983718

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108983822) is 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide is O=C(Nc1c(F)cccc1F)C1(C(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is GVTGDXGZVXSFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N2O2/c18-9-3-1-4-10(19)13(9)22-15(24)17(7-8-17)16(25)23-14-11(20)5-2-6-12(14)21/h1-6H,7-8H2,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 385.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).