3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide

C10H11F2NO4 — CID 171868510

IUPAC3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1cc(C(O)C(O)C(N)=O)cc(F)c1F
InChIInChI=1S/C10H11F2NO4/c1-17-6-3-4(2-5(11)7(6)12)8(14)9(15)10(13)16/h2-3,8-9,14-15H,1H3,(H2,13,16)
InChIKeySGPSBABKECYYNP-UHFFFAOYSA-N
MW247.20 g/mol
LogP-0.15
Rot. Bonds4

About 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide

3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868510) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171868510
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1cc(C(O)C(O)C(N)=O)cc(F)c1F
InChIInChI=1S/C10H11F2NO4/c1-17-6-3-4(2-5(11)7(6)12)8(14)9(15)10(13)16/h2-3,8-9,14-15H,1H3,(H2,13,16)
InChIKeySGPSBABKECYYNP-UHFFFAOYSA-N
XLogP-0.15
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 97293354
4-(3,4-difluoro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171878022
S-[3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822281
2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 66514185
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
tert-butyl N-[3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832462
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide
CID 171869052
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
CID 84785101
2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 170823796
(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
CID 130783775

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide (CID 171868510) is 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide is COc1cc(C(O)C(O)C(N)=O)cc(F)c1F.
What is the InChIKey of 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is SGPSBABKECYYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-17-6-3-4(2-5(11)7(6)12)8(14)9(15)10(13)16/h2-3,8-9,14-15H,1H3,(H2,13,16).
What are the key properties of 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide?
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 247.20 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).