3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide

C11H14FNO4 — CID 171868483

IUPAC3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
SMILESCCOc1ccc(F)cc1C(O)C(O)C(N)=O
InChIInChI=1S/C11H14FNO4/c1-2-17-8-4-3-6(12)5-7(8)9(14)10(15)11(13)16/h3-5,9-10,14-15H,2H2,1H3,(H2,13,16)
InChIKeyUVVRGZQQEIBACN-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.10
Rot. Bonds5

About 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide

3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide (PubChem CID 171868483) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
PubChem CID171868483
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
SMILESCCOc1ccc(F)cc1C(O)C(O)C(N)=O
InChIInChI=1S/C11H14FNO4/c1-2-17-8-4-3-6(12)5-7(8)9(14)10(15)11(13)16/h3-5,9-10,14-15H,2H2,1H3,(H2,13,16)
InChIKeyUVVRGZQQEIBACN-UHFFFAOYSA-N
XLogP0.10
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-5-fluorophenyl)butane-1,2,4-triol
CID 171872620
3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
2-[2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-4-fluorophenyl]acetic acid
CID 171866644
ethyl (2S)-2-(2-ethoxy-5-fluorophenyl)-2-hydroxyethanimidate
CID 92975441
4-azido-1-(2-ethoxy-5-fluorophenyl)butane-1,2-diol
CID 171879785
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
CID 134618705

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide (CID 171868483) is 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide is CCOc1ccc(F)cc1C(O)C(O)C(N)=O.
What is the InChIKey of 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide?
The InChIKey is UVVRGZQQEIBACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-2-17-8-4-3-6(12)5-7(8)9(14)10(15)11(13)16/h3-5,9-10,14-15H,2H2,1H3,(H2,13,16).
What are the key properties of 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide?
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide has a molecular weight of 243.23 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).