3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide

C10H12ClNO4 — CID 71727110

IUPAC3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H12ClNO4/c1-12(16)10(15)5-9(14)7-4-6(11)2-3-8(7)13/h2-4,9,13-14,16H,5H2,1H3
InChIKeyHPOHTFNGSSOVQC-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.32
Rot. Bonds3

About 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide

3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide (PubChem CID 71727110) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide
PubChem CID71727110
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H12ClNO4/c1-12(16)10(15)5-9(14)7-4-6(11)2-3-8(7)13/h2-4,9,13-14,16H,5H2,1H3
InChIKeyHPOHTFNGSSOVQC-UHFFFAOYSA-N
XLogP1.32
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.32
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide (CID 71727110) is 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide is CN(O)C(=O)CC(O)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
The InChIKey is HPOHTFNGSSOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-12(16)10(15)5-9(14)7-4-6(11)2-3-8(7)13/h2-4,9,13-14,16H,5H2,1H3.
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide has a molecular weight of 245.66 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-N,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 71727110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).