4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide

C20H22FNO5 — CID 146038093

IUPAC4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C20H22FNO5/c21-16-4-2-1-3-14(16)12-27-15-7-5-13(6-8-15)20(25)22-17-9-10-26-18(11-23)19(17)24/h1-8,17-19,23-24H,9-12H2,(H,22,25)/t17-,18+,19-/m0/s1
InChIKeySOCDNQXPYNYOEP-OTWHNJEPSA-N
MW375.40 g/mol
LogP1.65
Rot. Bonds6

About 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide

4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 146038093) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID146038093
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Name4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C20H22FNO5/c21-16-4-2-1-3-14(16)12-27-15-7-5-13(6-8-15)20(25)22-17-9-10-26-18(11-23)19(17)24/h1-8,17-19,23-24H,9-12H2,(H,22,25)/t17-,18+,19-/m0/s1
InChIKeySOCDNQXPYNYOEP-OTWHNJEPSA-N
XLogP1.65
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 154563568
(5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 134692551
[3-hydroxy-2-(hydroxymethyl)oxan-4-yl] 4-phenylmethoxybenzoate
CID 142600755
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 154571770
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
4-[(2-cyanophenyl)methoxy]-N-cyclopentylbenzamide
CID 39717917
(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide
CID 164788192
cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 161335491

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide (CID 146038093) is 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is SOCDNQXPYNYOEP-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H22FNO5/c21-16-4-2-1-3-14(16)12-27-15-7-5-13(6-8-15)20(25)22-17-9-10-26-18(11-23)19(17)24/h1-8,17-19,23-24H,9-12H2,(H,22,25)/t17-,18+,19-/m0/s1.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide?
4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide has a molecular weight of 375.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 146038093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).