1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

C14H15FN2O2 — CID 108970891

IUPAC1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN2O2/c1-2-9-16-12(18)14(7-8-14)13(19)17-11-5-3-10(15)4-6-11/h2-6H,1,7-9H2,(H,16,18)(H,17,19)
InChIKeyZJHHDDHOHDLOGT-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.85
Rot. Bonds5

About 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (PubChem CID 108970891) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
PubChem CID108970891
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN2O2/c1-2-9-16-12(18)14(7-8-14)13(19)17-11-5-3-10(15)4-6-11/h2-6H,1,7-9H2,(H,16,18)(H,17,19)
InChIKeyZJHHDDHOHDLOGT-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970806
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
1-N'-(4-cyanophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970968
1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
CID 165143774
1-N'-(2-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970867
1-N'-(4-fluorophenyl)-1-N-(4-sulfanyloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 144712460
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970946
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (CID 108970891) is 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is C=CCNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The InChIKey is ZJHHDDHOHDLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-9-16-12(18)14(7-8-14)13(19)17-11-5-3-10(15)4-6-11/h2-6H,1,7-9H2,(H,16,18)(H,17,19).
What are the key properties of 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide has a molecular weight of 262.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).