(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine

C13H11ClN2O — CID 5398630

IUPAC(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine
SMILESNc1ccc(Cl)cc1/C(=N/O)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2/b16-13+
InChIKeyGCAVNCINXJNLED-DTQAZKPQSA-N
MW246.70 g/mol
LogP3.15
Rot. Bonds2

About (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine

(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine (PubChem CID 5398630) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine
PubChem CID5398630
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine
SMILESNc1ccc(Cl)cc1/C(=N/O)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2/b16-13+
InChIKeyGCAVNCINXJNLED-DTQAZKPQSA-N
XLogP3.15
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine (CID 5398630) is (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine is Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is GCAVNCINXJNLED-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2/b16-13+.
What are the key properties of (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 246.70 g/mol, XLogP of 3.15, 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-5-chlorophenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 5398630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).