3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide

C10H11Cl2NO3 — CID 155565349

IUPAC3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-13(16)9(15)5-8(14)10-6(11)3-2-4-7(10)12/h2-4,8,14,16H,5H2,1H3
InChIKeyBTQLSSLFYWVJBE-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.26
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide

3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide (PubChem CID 155565349) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
PubChem CID155565349
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-13(16)9(15)5-8(14)10-6(11)3-2-4-7(10)12/h2-4,8,14,16H,5H2,1H3
InChIKeyBTQLSSLFYWVJBE-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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Related Compounds

3-(3-chlorophenyl)-N,3-dihydroxypropanamide
CID 71721721
3-(2,3-dichlorophenyl)-N,3-dihydroxypropanamide
CID 72707671
3-(2-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707599
3-(4-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707667
3-(2,3-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 71727108
2-[(2-chlorophenyl)-hydroxymethyl]-N-propylprop-2-enamide
CID 118722959
3-(4-fluorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155514177
3-(2,4-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155535566
3-(4-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155536133
3-(3-chlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155540829
3-(3,4-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155546187
3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide
CID 155553304

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide (CID 155565349) is 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide is CN(O)C(=O)CC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
The InChIKey is BTQLSSLFYWVJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-13(16)9(15)5-8(14)10-6(11)3-2-4-7(10)12/h2-4,8,14,16H,5H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide?
3-(2,6-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-(2,6-dichlorophenyl)-N,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 155565349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).