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

C9H10ClNO4 — CID 71721723

IUPAC3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Cl)ccc1O)NO
InChIInChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)
InChIKeyLZJAUAHHHSKTAK-UHFFFAOYSA-N
MW231.63 g/mol
LogP0.97
Rot. Bonds3

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

3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide (PubChem CID 71721723) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
PubChem CID71721723
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Cl)ccc1O)NO
InChIInChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14)
InChIKeyLZJAUAHHHSKTAK-UHFFFAOYSA-N
XLogP0.97
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 50.97
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'}

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Related Compounds

3-(3-chlorophenyl)-N,3-dihydroxypropanamide
CID 71721721
3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide
CID 132601482
3-(3,5-dichloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 72707742
3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide
CID 71727110
3-(5-fluoro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 71721724
3-(4-fluoro-2-hydroxyphenyl)-N,3-dihydroxypropanamide
CID 71721726
3-(3-Chloro-5-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868119
3-(5-Chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868120
4-(5-Chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171899130
3-(5-Chloro-2-hydroxyphenyl)-3-phenylpropanamide
CID 17594873
2-(5-chloro-2-hydroxyphenyl)-N-hydroxyacetamide
CID 18696062
3-(5-Chloro-2-hydroxyphenyl)propanamide
CID 69544107

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide (CID 71721723) is 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide is O=C(CC(O)c1cc(Cl)ccc1O)NO.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
The InChIKey is LZJAUAHHHSKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c10-5-1-2-7(12)6(3-5)8(13)4-9(14)11-15/h1-3,8,12-13,15H,4H2,(H,11,14).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide?
3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide has a molecular weight of 231.63 g/mol, XLogP of 0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 71721723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).