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

C9H8Cl2FNO3 — CID 171867980

IUPAC3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C9H8Cl2FNO3/c10-3-1-4(6(11)5(12)2-3)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16)
InChIKeyFSTIOYCAUHZLIV-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.01
Rot. Bonds3

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

3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide (PubChem CID 171867980) has the molecular formula C9H8Cl2FNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
PubChem CID171867980
Molecular FormulaC9H8Cl2FNO3
Molecular Weight268.07 g/mol
Exact Mass266.99
IUPAC Name3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C9H8Cl2FNO3/c10-3-1-4(6(11)5(12)2-3)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16)
InChIKeyFSTIOYCAUHZLIV-UHFFFAOYSA-N
XLogP1.01
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
CID 171868242
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
CID 171868515
2,5-dichloro-3-fluorobenzamide
CID 121228309
3-(5-acetyl-2,4-difluorophenyl)-2,3-dihydroxypropanamide
CID 171868759
3-azido-1-(2,5-dichloro-3-fluorophenyl)propane-1,2-diol
CID 170825838
3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867911
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823546

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide (CID 171867980) is 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(Cl)cc(F)c1Cl.
What is the InChIKey of 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide?
The InChIKey is FSTIOYCAUHZLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FNO3/c10-3-1-4(6(11)5(12)2-3)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16).
What are the key properties of 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide?
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide has a molecular weight of 268.07 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).