2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide

C13H16FNO3 — CID 99614822

IUPAC2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1c(O)cccc1F)[C@H]1CCOC1
InChIInChI=1S/C13H16FNO3/c1-8(9-5-6-18-7-9)15-13(17)12-10(14)3-2-4-11(12)16/h2-4,8-9,16H,5-7H2,1H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyZZJJFMNYZQFJOV-IUCAKERBSA-N
MW253.27 g/mol
LogP1.69
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide

2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide (PubChem CID 99614822) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
PubChem CID99614822
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1c(O)cccc1F)[C@H]1CCOC1
InChIInChI=1S/C13H16FNO3/c1-8(9-5-6-18-7-9)15-13(17)12-10(14)3-2-4-11(12)16/h2-4,8-9,16H,5-7H2,1H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyZZJJFMNYZQFJOV-IUCAKERBSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 115869095
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
3-hydroxy-4-nitro-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 99774885
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide (CID 99614822) is 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide is C[C@H](NC(=O)c1c(O)cccc1F)[C@H]1CCOC1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is ZZJJFMNYZQFJOV-IUCAKERBSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(9-5-6-18-7-9)15-13(17)12-10(14)3-2-4-11(12)16/h2-4,8-9,16H,5-7H2,1H3,(H,15,17)/t8-,9-/m0/s1.
What are the key properties of 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 99614822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).