2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide

C12H13F2NO2 — CID 174828931

IUPAC2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1C(F)C1c1ccc(F)cc1
InChIInChI=1S/C12H13F2NO2/c1-15(17-2)12(16)10-9(11(10)14)7-3-5-8(13)6-4-7/h3-6,9-11H,1-2H3
InChIKeyUBTZETDIOATEJB-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.90
Rot. Bonds3

About 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide

2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 174828931) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID174828931
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1C(F)C1c1ccc(F)cc1
InChIInChI=1S/C12H13F2NO2/c1-15(17-2)12(16)10-9(11(10)14)7-3-5-8(13)6-4-7/h3-6,9-11H,1-2H3
InChIKeyUBTZETDIOATEJB-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 174828931) is 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)C1C(F)C1c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is UBTZETDIOATEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-15(17-2)12(16)10-9(11(10)14)7-3-5-8(13)6-4-7/h3-6,9-11H,1-2H3.
What are the key properties of 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 174828931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).