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

C19H19FN2O2 — CID 109141714

IUPAC1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C19H19FN2O2/c1-11-6-7-15(8-12(11)2)22-19(24)17-10-16(17)18(23)21-14-5-3-4-13(20)9-14/h3-9,16-17H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNEVBZTOQLXUIGV-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.66
Rot. Bonds4

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

1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141714) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141714
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C19H19FN2O2/c1-11-6-7-15(8-12(11)2)22-19(24)17-10-16(17)18(23)21-14-5-3-4-13(20)9-14/h3-9,16-17H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNEVBZTOQLXUIGV-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
1-N-(2,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141721
1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
1-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143442
1-N-(3,4-dichlorophenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144008
1-N-(3-chloro-4-methoxyphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143261
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
2-N-[2-(dimethylamino)ethyl]-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133778
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130913
1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135936
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109141714) is 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(F)c2)cc1C.
What is the InChIKey of 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is NEVBZTOQLXUIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-11-6-7-15(8-12(11)2)22-19(24)17-10-16(17)18(23)21-14-5-3-4-13(20)9-14/h3-9,16-17H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3,4-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.66, 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-dimethylphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).