4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide

C22H26FNO7 — CID 143940464

IUPAC4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc(OCC2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C22H26FNO7/c1-12(24-22(29)14-2-6-15(23)7-3-14)13-4-8-16(9-5-13)30-11-18-20(27)21(28)19(26)17(10-25)31-18/h2-9,12,17-21,25-28H,10-11H2,1H3,(H,24,29)
InChIKeyLVJPMRZFCBFHAM-UHFFFAOYSA-N
MW435.45 g/mol
LogP0.54
Rot. Bonds7

About 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide

4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide (PubChem CID 143940464) has the molecular formula C22H26FNO7 and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide
PubChem CID143940464
Molecular FormulaC22H26FNO7
Molecular Weight435.45 g/mol
Exact Mass435.17
IUPAC Name4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc(OCC2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C22H26FNO7/c1-12(24-22(29)14-2-6-15(23)7-3-14)13-4-8-16(9-5-13)30-11-18-20(27)21(28)19(26)17(10-25)31-18/h2-9,12,17-21,25-28H,10-11H2,1H3,(H,24,29)
InChIKeyLVJPMRZFCBFHAM-UHFFFAOYSA-N
XLogP0.54
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[1-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]benzamide
CID 70919990
N-[(1S)-1-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]benzamide
CID 44816370
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
[3,4,5-triacetyloxy-6-[4-[1-[(4-fluorobenzoyl)amino]ethyl]phenoxy]oxan-2-yl]methyl acetate
CID 70919969
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide (CID 143940464) is 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1)c1ccc(OCC2OC(CO)C(O)C(O)C2O)cc1.
What is the InChIKey of 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide?
The InChIKey is LVJPMRZFCBFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO7/c1-12(24-22(29)14-2-6-15(23)7-3-14)13-4-8-16(9-5-13)30-11-18-20(27)21(28)19(26)17(10-25)31-18/h2-9,12,17-21,25-28H,10-11H2,1H3,(H,24,29).
What are the key properties of 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide?
4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide has a molecular weight of 435.45 g/mol, XLogP of 0.54, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]ethyl]benzamide is sourced from PubChem (CID 143940464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).