N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide

C12H14FNO3 — CID 115185183

IUPACN-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
SMILESCc1cc(NC(=O)C2(CO)COC2)ccc1F
InChIInChI=1S/C12H14FNO3/c1-8-4-9(2-3-10(8)13)14-11(16)12(5-15)6-17-7-12/h2-4,15H,5-7H2,1H3,(H,14,16)
InChIKeyDWVWXUNMYDGMPU-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.08
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide

N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide (PubChem CID 115185183) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
PubChem CID115185183
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
SMILESCc1cc(NC(=O)C2(CO)COC2)ccc1F
InChIInChI=1S/C12H14FNO3/c1-8-4-9(2-3-10(8)13)14-11(16)12(5-15)6-17-7-12/h2-4,15H,5-7H2,1H3,(H,14,16)
InChIKeyDWVWXUNMYDGMPU-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(4-fluoro-3-methylphenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]pyrrolidine-3-carboxamide
CID 123264045
methyl 3-[(4-fluoro-3-methylanilino)methyl]oxetane-3-carboxylate
CID 115248582
N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
CID 115185226
3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
CID 115185518
3-fluoro-N-(4-fluoro-3-methylphenyl)-1-methyl-4-[2-[(3-methyloxetan-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 146384223
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide
CID 115185211
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028667
N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
CID 167232888
N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide
CID 121295225
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 62813947

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide (CID 115185183) is N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide is Cc1cc(NC(=O)C2(CO)COC2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The InChIKey is DWVWXUNMYDGMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8-4-9(2-3-10(8)13)14-11(16)12(5-15)6-17-7-12/h2-4,15H,5-7H2,1H3,(H,14,16).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).