1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide

C18H15F3N2O2 — CID 108975773

IUPAC1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H15F3N2O2/c19-13-4-2-1-3-11(13)10-22-16(24)18(7-8-18)17(25)23-12-5-6-14(20)15(21)9-12/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyMBJQNKGFXDFWDX-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.14
Rot. Bonds5

About 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108975773) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108975773
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1F)C1(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H15F3N2O2/c19-13-4-2-1-3-11(13)10-22-16(24)18(7-8-18)17(25)23-12-5-6-14(20)15(21)9-12/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25)
InChIKeyMBJQNKGFXDFWDX-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.14
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-fluorophenyl)methyl]-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975735
1-N'-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975769
1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981761
1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975759
1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977390
1-N'-tert-butyl-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975673
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-N'-(3,4-difluorophenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973898
1-N'-(3-acetylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977413
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958
1-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 47085091

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108975773) is 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide is O=C(NCc1ccccc1F)C1(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is MBJQNKGFXDFWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-13-4-2-1-3-11(13)10-22-16(24)18(7-8-18)17(25)23-12-5-6-14(20)15(21)9-12/h1-6,9H,7-8,10H2,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 348.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).