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

C11H11FN2O2 — CID 58987988

IUPAC1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C11H11FN2O2/c12-7-1-3-8(4-2-7)14-10(16)11(5-6-11)9(13)15/h1-4H,5-6H2,(H2,13,15)(H,14,16)
InChIKeyWHTYLRLZUGABTR-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.03
Rot. Bonds3

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

1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 58987988) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID58987988
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C11H11FN2O2/c12-7-1-3-8(4-2-7)14-10(16)11(5-6-11)9(13)15/h1-4H,5-6H2,(H2,13,15)(H,14,16)
InChIKeyWHTYLRLZUGABTR-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
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)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
CID 165143774
1-N'-(4-fluorophenyl)-1-N-(4-sulfanyloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 144712460
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
CID 71282833
1-N-(4-fluorophenyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982389
1-N-(4-fluorophenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982388

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 58987988) is 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WHTYLRLZUGABTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-7-1-3-8(4-2-7)14-10(16)11(5-6-11)9(13)15/h1-4H,5-6H2,(H2,13,15)(H,14,16).
What are the key properties of 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 222.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 58987988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).