(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine

C13H9BrFNO — CID 89480531

IUPAC(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrFNO/c14-11-8-4-7-10(12(11)15)13(16-17)9-5-2-1-3-6-9/h1-8,17H/b16-13-
InChIKeyLOVYYFUATJCIIH-SSZFMOIBSA-N
MW294.12 g/mol
LogP3.81
Rot. Bonds2

About (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine

(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine (PubChem CID 89480531) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine
PubChem CID89480531
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C13H9BrFNO/c14-11-8-4-7-10(12(11)15)13(16-17)9-5-2-1-3-6-9/h1-8,17H/b16-13-
InChIKeyLOVYYFUATJCIIH-SSZFMOIBSA-N
XLogP3.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine (CID 89480531) is (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine is O/N=C(/c1ccccc1)c1cccc(Br)c1F.
What is the InChIKey of (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is LOVYYFUATJCIIH-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-11-8-4-7-10(12(11)15)13(16-17)9-5-2-1-3-6-9/h1-8,17H/b16-13-.
What are the key properties of (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine?
(NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 294.12 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-bromo-2-fluorophenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 89480531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).