3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide

C21H24FNO3 — CID 91769756

IUPAC3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C21H24FNO3/c1-23(14-21(15-24)8-10-26-11-9-21)20(25)18-6-2-4-16(12-18)17-5-3-7-19(22)13-17/h2-7,12-13,24H,8-11,14-15H2,1H3
InChIKeyRGQUXKSJBUNQJT-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.35
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide

3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide (PubChem CID 91769756) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
PubChem CID91769756
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C21H24FNO3/c1-23(14-21(15-24)8-10-26-11-9-21)20(25)18-6-2-4-16(12-18)17-5-3-7-19(22)13-17/h2-7,12-13,24H,8-11,14-15H2,1H3
InChIKeyRGQUXKSJBUNQJT-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 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide (CID 91769756) is 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide is CN(CC1(CO)CCOCC1)C(=O)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
The InChIKey is RGQUXKSJBUNQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-23(14-21(15-24)8-10-26-11-9-21)20(25)18-6-2-4-16(12-18)17-5-3-7-19(22)13-17/h2-7,12-13,24H,8-11,14-15H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide?
3-(3-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 3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 91769756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).