(NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H11Cl2NO2 — CID 6898137

IUPAC(NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-12-5-6-14(11(7-12)8-17-18)19-9-10-3-1-2-4-13(10)16/h1-8,18H,9H2/b17-8+
InChIKeyWTJCHZPEHFPZBV-CAOOACKPSA-N
MW296.15 g/mol
LogP4.38
Rot. Bonds4

About (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 6898137) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID6898137
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-12-5-6-14(11(7-12)8-17-18)19-9-10-3-1-2-4-13(10)16/h1-8,18H,9H2/b17-8+
InChIKeyWTJCHZPEHFPZBV-CAOOACKPSA-N
XLogP4.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.38
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'}

Analyze (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 6898137) is (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is O/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl.
What is the InChIKey of (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is WTJCHZPEHFPZBV-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-12-5-6-14(11(7-12)8-17-18)19-9-10-3-1-2-4-13(10)16/h1-8,18H,9H2/b17-8+.
What are the key properties of (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 296.15 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6898137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).