(NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine

C9H9Cl2NO2 — CID 172562930

IUPAC(NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine
SMILESCOC/C(=N\O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-5-9(12-13)7-3-2-6(10)4-8(7)11/h2-4,13H,5H2,1H3/b12-9+
InChIKeyKDSWMFDEGXOFRA-FMIVXFBMSA-N
MW234.08 g/mol
LogP2.82
Rot. Bonds3

About (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine

(NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine (PubChem CID 172562930) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine
PubChem CID172562930
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name(NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine
SMILESCOC/C(=N\O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-5-9(12-13)7-3-2-6(10)4-8(7)11/h2-4,13H,5H2,1H3/b12-9+
InChIKeyKDSWMFDEGXOFRA-FMIVXFBMSA-N
XLogP2.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(NZ)-N-[1-(2,4-dichlorophenyl)-2,2-difluoroethylidene]hydroxylamine
CID 22769416
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
CID 11110183
5-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944743
methyl (E)-2-[2-[[(Z)-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]amino]oxymethyl]-3-methylphenyl]-3-methoxyprop-2-enoate
CID 172562937
1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine
CID 19695097
1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178840
methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
CID 86120653
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2378941
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
1-(2,4-dichlorophenyl)-2-[ethyl(2-methoxyethyl)amino]propan-1-one
CID 61446505
1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine (CID 172562930) is (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine is COC/C(=N\O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine?
The InChIKey is KDSWMFDEGXOFRA-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-5-9(12-13)7-3-2-6(10)4-8(7)11/h2-4,13H,5H2,1H3/b12-9+.
What are the key properties of (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine?
(NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine has a molecular weight of 234.08 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,4-dichlorophenyl)-2-methoxyethylidene]hydroxylamine is sourced from PubChem (CID 172562930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).