(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine

C8H9ClN2O — CID 5358741

IUPAC(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
SMILESNC/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)8(5-10)11-12/h1-4,12H,5,10H2/b11-8-
InChIKeySOHVOBSVFSBXQA-FLIBITNWSA-N
MW184.63 g/mol
LogP1.48
Rot. Bonds2

About (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine

(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine (PubChem CID 5358741) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
PubChem CID5358741
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
SMILESNC/C(=N/O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)8(5-10)11-12/h1-4,12H,5,10H2/b11-8-
InChIKeySOHVOBSVFSBXQA-FLIBITNWSA-N
XLogP1.48
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.48
H-Bond Donors ≤ 52
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-[2-amino-1-(4-chlorophenyl)ethylidene]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-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine (CID 5358741) is (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine is NC/C(=N/O)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine?
The InChIKey is SOHVOBSVFSBXQA-FLIBITNWSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)8(5-10)11-12/h1-4,12H,5,10H2/b11-8-.
What are the key properties of (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine?
(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine has a molecular weight of 184.63 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 5358741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).