(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine

C15H11BrFNO — CID 70681134

IUPAC(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine
SMILESO/N=C(\C=C\c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO/c16-13-6-4-12(5-7-13)15(18-19)10-3-11-1-8-14(17)9-2-11/h1-10,19H/b10-3+,18-15+
InChIKeyYQLKLOOKOGSZLP-DFMGRHGTSA-N
MW320.16 g/mol
LogP4.48
Rot. Bonds3

About (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine

(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine (PubChem CID 70681134) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine
PubChem CID70681134
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine
SMILESO/N=C(\C=C\c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO/c16-13-6-4-12(5-7-13)15(18-19)10-3-11-1-8-14(17)9-2-11/h1-10,19H/b10-3+,18-15+
InChIKeyYQLKLOOKOGSZLP-DFMGRHGTSA-N
XLogP4.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.48
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 (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine (CID 70681134) is (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine is O/N=C(\C=C\c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is YQLKLOOKOGSZLP-DFMGRHGTSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-13-6-4-12(5-7-13)15(18-19)10-3-11-1-8-14(17)9-2-11/h1-10,19H/b10-3+,18-15+.
What are the key properties of (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 320.16 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 70681134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).