4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide

C21H24FNO3 — CID 91788116

IUPAC4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H24FNO3/c1-23(14-21(15-24)10-12-26-13-11-21)20(25)17-8-6-16(7-9-17)18-4-2-3-5-19(18)22/h2-9,24H,10-15H2,1H3
InChIKeyRMRIFDBIHDDISR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.35
Rot. Bonds5

About 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide

4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide (PubChem CID 91788116) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
PubChem CID91788116
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H24FNO3/c1-23(14-21(15-24)10-12-26-13-11-21)20(25)17-8-6-16(7-9-17)18-4-2-3-5-19(18)22/h2-9,24H,10-15H2,1H3
InChIKeyRMRIFDBIHDDISR-UHFFFAOYSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide (CID 91788116) is 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide is CN(CC1(CO)CCOCC1)C(=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The InChIKey is RMRIFDBIHDDISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-23(14-21(15-24)10-12-26-13-11-21)20(25)17-8-6-16(7-9-17)18-4-2-3-5-19(18)22/h2-9,24H,10-15H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 91788116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).