(1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride

C9H8Cl3NO — CID 59264862

IUPAC(1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride
SMILESO/N=C(/Cl)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl3NO/c10-7-2-1-3-8(11)6(7)4-5-9(12)13-14/h1-3,14H,4-5H2/b13-9+
InChIKeyXLISHUGXFZVICG-UKTHLTGXSA-N
MW252.53 g/mol
LogP3.95
Rot. Bonds3

About (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride

(1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride (PubChem CID 59264862) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride.

Molecular Properties

Compound Name(1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride
PubChem CID59264862
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC Name(1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride
SMILESO/N=C(/Cl)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl3NO/c10-7-2-1-3-8(11)6(7)4-5-9(12)13-14/h1-3,14H,4-5H2/b13-9+
InChIKeyXLISHUGXFZVICG-UKTHLTGXSA-N
XLogP3.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenyl)-4-methylpentan-3-one
CID 43175854
1-(2,6-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 43370354
1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene
CID 24722124
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
2-[2-(2,6-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 51131579
3-(2,6-dichlorophenyl)propane-1-thiol
CID 83924894
methyl 6-(2,6-dichlorophenyl)-4-oxohexanoate
CID 107902610
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
3-chloro-2-propylphenol
CID 15747295
6-(2,6-dichlorophenyl)hexane-1-thiol
CID 10777932
1,3-dichloro-2-(nitrosomethyl)benzene
CID 54118768

Frequently Asked Questions

What is the IUPAC name of (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride?
The IUPAC name of (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride (CID 59264862) is (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride.
What is the SMILES notation for (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride?
The canonical SMILES for (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride is O/N=C(/Cl)CCc1c(Cl)cccc1Cl.
What is the InChIKey of (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride?
The InChIKey is XLISHUGXFZVICG-UKTHLTGXSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c10-7-2-1-3-8(11)6(7)4-5-9(12)13-14/h1-3,14H,4-5H2/b13-9+.
What are the key properties of (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride?
(1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride has a molecular weight of 252.53 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-(2,6-dichlorophenyl)-N-hydroxypropanimidoyl chloride is sourced from PubChem (CID 59264862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).