(NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine

C14H11Br2NO2 — CID 6874484

IUPAC(NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C14H11Br2NO2/c15-12-6-11(8-17-18)14(13(16)7-12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2/b17-8+
InChIKeyGGVNHOQVKLJMLN-CAOOACKPSA-N
MW385.06 g/mol
LogP4.60
Rot. Bonds4

About (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine (PubChem CID 6874484) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine
PubChem CID6874484
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name(NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C14H11Br2NO2/c15-12-6-11(8-17-18)14(13(16)7-12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2/b17-8+
InChIKeyGGVNHOQVKLJMLN-CAOOACKPSA-N
XLogP4.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.60
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine (CID 6874484) is (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine is O/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1.
What is the InChIKey of (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is GGVNHOQVKLJMLN-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c15-12-6-11(8-17-18)14(13(16)7-12)19-9-10-4-2-1-3-5-10/h1-8,18H,9H2/b17-8+.
What are the key properties of (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 385.06 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6874484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).