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

C19H18F2N2O2 — CID 108981761

IUPAC1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H18F2N2O2/c1-2-12-5-3-4-6-16(12)23-18(25)19(9-10-19)17(24)22-13-7-8-14(20)15(21)11-13/h3-8,11H,2,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyVKBYWWALZASTES-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.88
Rot. Bonds5

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

1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981761) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981761
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H18F2N2O2/c1-2-12-5-3-4-6-16(12)23-18(25)19(9-10-19)17(24)22-13-7-8-14(20)15(21)11-13/h3-8,11H,2,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyVKBYWWALZASTES-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.88
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

ethyl 2-[[1-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983851
1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975773
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-N'-(3,4-difluorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983187
1-N'-(2-ethylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981717
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
1-N'-(2-ethylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976988
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981761) is 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide is CCc1ccccc1NC(=O)C1(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is VKBYWWALZASTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-2-12-5-3-4-6-16(12)23-18(25)19(9-10-19)17(24)22-13-7-8-14(20)15(21)11-13/h3-8,11H,2,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3,4-difluorophenyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.88, 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-ethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).