2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C13H16FNO4 — CID 104919925

IUPAC2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO4/c14-9-2-1-3-10(16)11(9)12(17)15-8-13(18)4-6-19-7-5-13/h1-3,16,18H,4-8H2,(H,15,17)
InChIKeyPPDILPUVYJBBTD-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.80
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 104919925) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID104919925
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO4/c14-9-2-1-3-10(16)11(9)12(17)15-8-13(18)4-6-19-7-5-13/h1-3,16,18H,4-8H2,(H,15,17)
InChIKeyPPDILPUVYJBBTD-UHFFFAOYSA-N
XLogP0.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111486301
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
1-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107013778
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
4-[2-(2-fluorophenyl)ethynyl]-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 162688811
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 104919925) is 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is O=C(NCC1(O)CCOCC1)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is PPDILPUVYJBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-9-2-1-3-10(16)11(9)12(17)15-8-13(18)4-6-19-7-5-13/h1-3,16,18H,4-8H2,(H,15,17).
What are the key properties of 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 269.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 104919925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).