3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide

C13H16FNO3 — CID 139373831

IUPAC3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(Oc2cc(F)ccc2OC)C1
InChIInChI=1S/C13H16FNO3/c1-15-13(16)8-5-10(6-8)18-12-7-9(14)3-4-11(12)17-2/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)
InChIKeyFFHZGSLHZIJNHU-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.74
Rot. Bonds4

About 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide

3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide (PubChem CID 139373831) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide
PubChem CID139373831
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(Oc2cc(F)ccc2OC)C1
InChIInChI=1S/C13H16FNO3/c1-15-13(16)8-5-10(6-8)18-12-7-9(14)3-4-11(12)17-2/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16)
InChIKeyFFHZGSLHZIJNHU-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
CID 139373983
N-(2,3-dihydroindol-1-yl)-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369052
N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369067
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369125
3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide
CID 142323295
CID 177227321
CID 177227321
N-(4-acetyl-1,3-thiazol-2-yl)-3-[2-(difluoromethoxy)-5-fluorophenoxy]cyclobutane-1-carboxamide
CID 139369303
N-cyclohexyl-3-(2-methoxyphenoxy)cyclobutane-1-carboxamide;propan-2-ol
CID 142323277
3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]cyclobutane-1-carboxamide
CID 134430539
3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-[4-(pyrimidin-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide
CID 139369105
3-(2,5-difluorophenoxy)-N-methylcyclobutan-1-amine
CID 66351796

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide (CID 139373831) is 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide is CNC(=O)C1CC(Oc2cc(F)ccc2OC)C1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide?
The InChIKey is FFHZGSLHZIJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-15-13(16)8-5-10(6-8)18-12-7-9(14)3-4-11(12)17-2/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide?
3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 139373831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).