3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide

C10H11Cl2NO3 — CID 71727108

IUPAC3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-13(16)9(15)5-8(14)6-3-2-4-7(11)10(6)12/h2-4,8,14,16H,5H2,1H3
InChIKeyMRWPQKCIHWNUSH-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.26
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide

3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide (PubChem CID 71727108) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
PubChem CID71727108
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-13(16)9(15)5-8(14)6-3-2-4-7(11)10(6)12/h2-4,8,14,16H,5H2,1H3
InChIKeyMRWPQKCIHWNUSH-UHFFFAOYSA-N
XLogP2.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.26
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-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide (CID 71727108) is 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide is CN(O)C(=O)CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The InChIKey is MRWPQKCIHWNUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-13(16)9(15)5-8(14)6-3-2-4-7(11)10(6)12/h2-4,8,14,16H,5H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide has a molecular weight of 264.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 71727108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).