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

C17H13F3N2O2 — CID 109142798

IUPAC1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13F3N2O2/c18-9-1-3-10(4-2-9)21-16(23)12-8-13(12)17(24)22-11-5-6-14(19)15(20)7-11/h1-7,12-13H,8H2,(H,21,23)(H,22,24)
InChIKeyILQFFMMCULJXCZ-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.32
Rot. Bonds4

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

1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142798) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142798
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13F3N2O2/c18-9-1-3-10(4-2-9)21-16(23)12-8-13(12)17(24)22-11-5-6-14(19)15(20)7-11/h1-7,12-13H,8H2,(H,21,23)(H,22,24)
InChIKeyILQFFMMCULJXCZ-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139691
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
(1S,6R)-6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7127036
(1R,6R)-6-[(3,4-difluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7127034
2-N-[(2-chlorophenyl)methyl]-1-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136278
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
1-N-(3,4-difluorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137014
1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133630
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109142798) is 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide is O=C(Nc1ccc(F)cc1)C1CC1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is ILQFFMMCULJXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-9-1-3-10(4-2-9)21-16(23)12-8-13(12)17(24)22-11-5-6-14(19)15(20)7-11/h1-7,12-13H,8H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.32, 4 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)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).