N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide

C11H12FNO2 — CID 71278100

IUPACN-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2)COC1
InChIInChI=1S/C11H12FNO2/c1-11(6-15-7-11)10(14)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyVPMBLHAWTNTIES-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.80
Rot. Bonds2

About N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide

N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide (PubChem CID 71278100) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
PubChem CID71278100
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC NameN-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cc2)COC1
InChIInChI=1S/C11H12FNO2/c1-11(6-15-7-11)10(14)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyVPMBLHAWTNTIES-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
CID 167232888
3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
CID 71282833
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide
CID 146022376
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide
CID 126777763
(1R,4R)-N-(4-fluorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 6544490
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022428
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide (CID 71278100) is N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide is CC1(C(=O)Nc2ccc(F)cc2)COC1.
What is the InChIKey of N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide?
The InChIKey is VPMBLHAWTNTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-11(6-15-7-11)10(14)13-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide?
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide has a molecular weight of 209.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 71278100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).