N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide

C12H14FNO4 — CID 115185186

IUPACN-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
SMILESCOc1ccc(F)cc1NC(=O)C1(CO)COC1
InChIInChI=1S/C12H14FNO4/c1-17-10-3-2-8(13)4-9(10)14-11(16)12(5-15)6-18-7-12/h2-4,15H,5-7H2,1H3,(H,14,16)
InChIKeyTZIPEKLJHRDYNG-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.78
Rot. Bonds4

About N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide

N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide (PubChem CID 115185186) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
PubChem CID115185186
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
SMILESCOc1ccc(F)cc1NC(=O)C1(CO)COC1
InChIInChI=1S/C12H14FNO4/c1-17-10-3-2-8(13)4-9(10)14-11(16)12(5-15)6-18-7-12/h2-4,15H,5-7H2,1H3,(H,14,16)
InChIKeyTZIPEKLJHRDYNG-UHFFFAOYSA-N
XLogP0.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
methyl 4-(5-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 110776545
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
3-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959348
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
CID 115186809
3-[amino-(5-fluoro-2-methoxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116944602
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 115453354
1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441980
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide (CID 115185186) is N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide is COc1ccc(F)cc1NC(=O)C1(CO)COC1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
The InChIKey is TZIPEKLJHRDYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-17-10-3-2-8(13)4-9(10)14-11(16)12(5-15)6-18-7-12/h2-4,15H,5-7H2,1H3,(H,14,16).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide?
N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).