3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

C9H9ClFNO4 — CID 171868119

IUPAC3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H9ClFNO4/c10-5-2-3(11)1-4(6(5)13)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16)
InChIKeyRDPIISUCKHGLRJ-UHFFFAOYSA-N
MW249.62 g/mol
LogP0.06
Rot. Bonds3

About 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868119) has the molecular formula C9H9ClFNO4 and a molecular weight of 249.62 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171868119
Molecular FormulaC9H9ClFNO4
Molecular Weight249.62 g/mol
Exact Mass249.02
IUPAC Name3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H9ClFNO4/c10-5-2-3(11)1-4(6(5)13)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16)
InChIKeyRDPIISUCKHGLRJ-UHFFFAOYSA-N
XLogP0.06
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 71721723
3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 72707742
3-(3-Chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823922
3-Amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)propane-1,2-diol
CID 170827992
3-(3-Chloro-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867742
3-(5-Fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867766
3-(4-Fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-(3-Fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867768
3-(2-Fluoro-6-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867771
3-(4,5-Difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868118
3-(5-Chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868120
3-(3,5-Difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868121

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (CID 171868119) is 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is RDPIISUCKHGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO4/c10-5-2-3(11)1-4(6(5)13)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16).
What are the key properties of 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 249.62 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).