3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide

C9H9Cl2NO4 — CID 72707742

IUPAC3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Cl)cc(Cl)c1O)NO
InChIInChI=1S/C9H9Cl2NO4/c10-4-1-5(9(15)6(11)2-4)7(13)3-8(14)12-16/h1-2,7,13,15-16H,3H2,(H,12,14)
InChIKeyJUEDDYGDNNQQSN-UHFFFAOYSA-N
MW266.08 g/mol
LogP1.63
Rot. Bonds3

About 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide

3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide (PubChem CID 72707742) has the molecular formula C9H9Cl2NO4 and a molecular weight of 266.08 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
PubChem CID72707742
Molecular FormulaC9H9Cl2NO4
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Cl)cc(Cl)c1O)NO
InChIInChI=1S/C9H9Cl2NO4/c10-4-1-5(9(15)6(11)2-4)7(13)3-8(14)12-16/h1-2,7,13,15-16H,3H2,(H,12,14)
InChIKeyJUEDDYGDNNQQSN-UHFFFAOYSA-N
XLogP1.63
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide (CID 72707742) is 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide is O=C(CC(O)c1cc(Cl)cc(Cl)c1O)NO.
What is the InChIKey of 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The InChIKey is JUEDDYGDNNQQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4/c10-4-1-5(9(15)6(11)2-4)7(13)3-8(14)12-16/h1-2,7,13,15-16H,3H2,(H,12,14).
What are the key properties of 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide has a molecular weight of 266.08 g/mol, XLogP of 1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 72707742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).