N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

C11H14FNO4 — CID 170829661

IUPACN-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(F)cc1O
InChIInChI=1S/C11H14FNO4/c1-6(14)13-5-10(16)11(17)8-3-2-7(12)4-9(8)15/h2-4,10-11,15-17H,5H2,1H3,(H,13,14)
InChIKeyHLKAYUNJNQIHRR-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.06
Rot. Bonds4

About N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829661) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829661
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(F)cc1O
InChIInChI=1S/C11H14FNO4/c1-6(14)13-5-10(16)11(17)8-3-2-7(12)4-9(8)15/h2-4,10-11,15-17H,5H2,1H3,(H,13,14)
InChIKeyHLKAYUNJNQIHRR-UHFFFAOYSA-N
XLogP0.06
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170829661) is N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(F)cc1O.
What is the InChIKey of N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is HLKAYUNJNQIHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-6(14)13-5-10(16)11(17)8-3-2-7(12)4-9(8)15/h2-4,10-11,15-17H,5H2,1H3,(H,13,14).
What are the key properties of N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 243.23 g/mol, XLogP of 0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).