3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide

C9H9ClFNO3 — CID 171867738

IUPAC3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO3/c10-5-3-1-2-4(6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,(H2,12,15)
InChIKeyFQPHLAHFOPYLTN-UHFFFAOYSA-N
MW233.63 g/mol
LogP0.36
Rot. Bonds3

About 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide

3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide (PubChem CID 171867738) has the molecular formula C9H9ClFNO3 and a molecular weight of 233.63 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide
PubChem CID171867738
Molecular FormulaC9H9ClFNO3
Molecular Weight233.63 g/mol
Exact Mass233.03
IUPAC Name3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO3/c10-5-3-1-2-4(6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,(H2,12,15)
InChIKeyFQPHLAHFOPYLTN-UHFFFAOYSA-N
XLogP0.36
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide (CID 171867738) is 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide?
The InChIKey is FQPHLAHFOPYLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3/c10-5-3-1-2-4(6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,(H2,12,15).
What are the key properties of 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide?
3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide has a molecular weight of 233.63 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).