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

C19H18F2N2O2 — CID 108981437

IUPAC1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3F)CC2)cc1C
InChIInChI=1S/C19H18F2N2O2/c1-11-3-5-14(9-12(11)2)22-17(24)19(7-8-19)18(25)23-16-6-4-13(20)10-15(16)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyATKMCNHDJNFJKQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.94
Rot. Bonds4

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

1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981437) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981437
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3F)CC2)cc1C
InChIInChI=1S/C19H18F2N2O2/c1-11-3-5-14(9-12(11)2)22-17(24)19(7-8-19)18(25)23-16-6-4-13(20)10-15(16)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyATKMCNHDJNFJKQ-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.94
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-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-N'-(2,4-difluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983273
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
1-N'-(2,5-dichlorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981442
1-N-(2,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141721
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982192
1-N-(4-tert-butylphenyl)-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981391
1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710
1-N-[4-(dimethylamino)phenyl]-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981425

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981437) is 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3F)CC2)cc1C.
What is the InChIKey of 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ATKMCNHDJNFJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11-3-5-14(9-12(11)2)22-17(24)19(7-8-19)18(25)23-16-6-4-13(20)10-15(16)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).