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

C20H21FN2O3 — CID 108982309

IUPAC1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-13(2)26-15-9-7-14(8-10-15)22-18(24)20(11-12-20)19(25)23-17-6-4-3-5-16(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNKNNOCPWOOTOCI-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.97
Rot. Bonds6

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

1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982309) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982309
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-13(2)26-15-9-7-14(8-10-15)22-18(24)20(11-12-20)19(25)23-17-6-4-3-5-16(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNKNNOCPWOOTOCI-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.97
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'-(2,4-difluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983273
1-N'-(2-ethylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981717
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275
4-N-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150875
1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983238
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259
1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983261
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
1-N-[4-(dimethylamino)phenyl]-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983242
1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971473
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108982309) is 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2(C(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NKNNOCPWOOTOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13(2)26-15-9-7-14(8-10-15)22-18(24)20(11-12-20)19(25)23-17-6-4-3-5-16(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).