N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

C11H14FNO4 — CID 170829656

IUPACN-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(O)cc(F)c1
InChIInChI=1S/C11H14FNO4/c1-6(14)13-5-10(16)11(17)7-2-8(12)4-9(15)3-7/h2-4,10-11,15-17H,5H2,1H3,(H,13,14)
InChIKeyRSFWGBSWSIAOAW-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.06
Rot. Bonds4

About N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829656) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829656
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(O)cc(F)c1
InChIInChI=1S/C11H14FNO4/c1-6(14)13-5-10(16)11(17)7-2-8(12)4-9(15)3-7/h2-4,10-11,15-17H,5H2,1H3,(H,13,14)
InChIKeyRSFWGBSWSIAOAW-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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Related Compounds

S-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821532
N-[3-(3,5-difluoro-4-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830411
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
N-[4-(3-chloro-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882627
N-[3-(3-chloro-4-hydroxy-5-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829972
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[4-[3-fluoro-5-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882969
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831363
N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide
CID 170829666
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830578

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170829656) is N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(O)cc(F)c1.
What is the InChIKey of N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is RSFWGBSWSIAOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-6(14)13-5-10(16)11(17)7-2-8(12)4-9(15)3-7/h2-4,10-11,15-17H,5H2,1H3,(H,13,14).
What are the key properties of N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(3-fluoro-5-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-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).