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

C15H11BrClNO — CID 11121251

IUPAC(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
SMILESO/N=C(\C=C\c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNO/c16-13-6-1-11(2-7-13)3-10-15(18-19)12-4-8-14(17)9-5-12/h1-10,19H/b10-3+,18-15+
InChIKeyQQWPHEFQEUWUOG-DFMGRHGTSA-N
MW336.62 g/mol
LogP4.99
Rot. Bonds3

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

(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine (PubChem CID 11121251) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
PubChem CID11121251
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
SMILESO/N=C(\C=C\c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNO/c16-13-6-1-11(2-7-13)3-10-15(18-19)12-4-8-14(17)9-5-12/h1-10,19H/b10-3+,18-15+
InChIKeyQQWPHEFQEUWUOG-DFMGRHGTSA-N
XLogP4.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.99
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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Related Compounds

(NE)-N-[(E)-1,3-bis(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 70693742
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine
CID 138858059
(NE)-N-[(2E)-1-(4-chlorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 137309663
(E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide;hydrate
CID 173457172
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
1-bromo-4-chlorobenzene
CID 7806
(E)-3-(4-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 75539269
(NE)-N-[(E)-1,3-bis(4-bromophenyl)prop-2-enylidene]-4-methylbenzenesulfonamide
CID 154594169
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844
(NE)-N-[(E)-1-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 139198858

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine (CID 11121251) is (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine is O/N=C(\C=C\c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is QQWPHEFQEUWUOG-DFMGRHGTSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-13-6-1-11(2-7-13)3-10-15(18-19)12-4-8-14(17)9-5-12/h1-10,19H/b10-3+,18-15+.
What are the key properties of (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine?
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 336.62 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 11121251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).