N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

C13H16FNO3 — CID 115185381

IUPACN-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(CO)COC1
InChIInChI=1S/C13H16FNO3/c1-15(6-10-2-4-11(14)5-3-10)12(17)13(7-16)8-18-9-13/h2-5,16H,6-9H2,1H3
InChIKeyRRGUGVLUIGPHCG-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.79
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (PubChem CID 115185381) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
PubChem CID115185381
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(CO)COC1
InChIInChI=1S/C13H16FNO3/c1-15(6-10-2-4-11(14)5-3-10)12(17)13(7-16)8-18-9-13/h2-5,16H,6-9H2,1H3
InChIKeyRRGUGVLUIGPHCG-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
CID 115185388
3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
CID 115185772
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185386
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185258
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-cyano-N-[(4-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 78994705
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (CID 115185381) is N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1(CO)COC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The InChIKey is RRGUGVLUIGPHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-15(6-10-2-4-11(14)5-3-10)12(17)13(7-16)8-18-9-13/h2-5,16H,6-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115185381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).