1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C19H19FN2O3 — CID 108982380

IUPAC1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN2O3/c1-2-25-16-6-4-3-5-15(16)22-18(24)19(11-12-19)17(23)21-14-9-7-13(20)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyXTGKKQPWDPYVOW-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.58
Rot. Bonds6

About 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982380) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982380
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN2O3/c1-2-25-16-6-4-3-5-15(16)22-18(24)19(11-12-19)17(23)21-14-9-7-13(20)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyXTGKKQPWDPYVOW-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977513
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982890
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973512
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
1-N-(4-fluorophenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982388
1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975995
1-N'-(2-cyanophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982432
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
CID 165143774
1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983238

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108982380) is 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CCOc1ccccc1NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is XTGKKQPWDPYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-2-25-16-6-4-3-5-15(16)22-18(24)19(11-12-19)17(23)21-14-9-7-13(20)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).