(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine

C11H14Cl2NO4P — CID 11110183

IUPAC(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
SMILESCCOP(=O)(OCC)/C(=N/O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2NO4P/c1-3-17-19(16,18-4-2)11(14-15)9-6-5-8(12)7-10(9)13/h5-7,15H,3-4H2,1-2H3/b14-11+
InChIKeyVJIHKUQMHNFEIT-SDNWHVSQSA-N
MW326.12 g/mol
LogP4.40
Rot. Bonds6

About (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine

(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine (PubChem CID 11110183) has the molecular formula C11H14Cl2NO4P and a molecular weight of 326.12 g/mol. Its IUPAC name is (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
PubChem CID11110183
Molecular FormulaC11H14Cl2NO4P
Molecular Weight326.12 g/mol
Exact Mass325.00
IUPAC Name(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
SMILESCCOP(=O)(OCC)/C(=N/O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2NO4P/c1-3-17-19(16,18-4-2)11(14-15)9-6-5-8(12)7-10(9)13/h5-7,15H,3-4H2,1-2H3/b14-11+
InChIKeyVJIHKUQMHNFEIT-SDNWHVSQSA-N
XLogP4.40
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine (CID 11110183) is (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine is CCOP(=O)(OCC)/C(=N/O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine?
The InChIKey is VJIHKUQMHNFEIT-SDNWHVSQSA-N. The full InChI is InChI=1S/C11H14Cl2NO4P/c1-3-17-19(16,18-4-2)11(14-15)9-6-5-8(12)7-10(9)13/h5-7,15H,3-4H2,1-2H3/b14-11+.
What are the key properties of (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine?
(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine has a molecular weight of 326.12 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine is sourced from PubChem (CID 11110183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).