3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide

C10H12ClNO3 — CID 155536133

IUPAC3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3/c1-12(15)10(14)6-9(13)7-2-4-8(11)5-3-7/h2-5,9,13,15H,6H2,1H3
InChIKeyWFNSGANXAQPYGP-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.61
Rot. Bonds3

About 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide

3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide (PubChem CID 155536133) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide
PubChem CID155536133
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3/c1-12(15)10(14)6-9(13)7-2-4-8(11)5-3-7/h2-5,9,13,15H,6H2,1H3
InChIKeyWFNSGANXAQPYGP-UHFFFAOYSA-N
XLogP1.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide (CID 155536133) is 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide is CN(O)C(=O)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The InChIKey is WFNSGANXAQPYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-12(15)10(14)6-9(13)7-2-4-8(11)5-3-7/h2-5,9,13,15H,6H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide has a molecular weight of 229.66 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 155536133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).