1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide

C20H21FN2O3 — CID 109136109

IUPAC1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1CC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c1-2-26-18-6-4-3-5-17(18)23-20(25)16-11-15(16)19(24)22-12-13-7-9-14(21)10-8-13/h3-10,15-16H,2,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNZACJFKINOYGAS-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.12
Rot. Bonds7

About 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109136109) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109136109
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1CC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c1-2-26-18-6-4-3-5-17(18)23-20(25)16-11-15(16)19(24)22-12-13-7-9-14(21)10-8-13/h3-10,15-16H,2,11-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNZACJFKINOYGAS-UHFFFAOYSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
1-N-tert-butyl-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139628
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138540
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
1-N-(2-ethoxyphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141044
1-N-(2-ethylphenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136575
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136122
2-N-(3,4-dichlorophenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143497
2-N-(3-chlorophenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142878

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109136109) is 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is CCOc1ccccc1NC(=O)C1CC1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is NZACJFKINOYGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-18-6-4-3-5-17(18)23-20(25)16-11-15(16)19(24)22-12-13-7-9-14(21)10-8-13/h3-10,15-16H,2,11-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).