(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine

C15H12BrCl2NO3 — CID 91689795

IUPAC(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N\O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO3/c1-21-14-5-10(7-19-20)11(16)6-15(14)22-8-9-2-3-12(17)13(18)4-9/h2-7,20H,8H2,1H3/b19-7-
InChIKeyBEGUUGVQGFAUHU-GXHLCREISA-N
MW405.08 g/mol
LogP5.15
Rot. Bonds5

About (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine

(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 91689795) has the molecular formula C15H12BrCl2NO3 and a molecular weight of 405.08 g/mol. Its IUPAC name is (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
PubChem CID91689795
Molecular FormulaC15H12BrCl2NO3
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N\O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO3/c1-21-14-5-10(7-19-20)11(16)6-15(14)22-8-9-2-3-12(17)13(18)4-9/h2-7,20H,8H2,1H3/b19-7-
InChIKeyBEGUUGVQGFAUHU-GXHLCREISA-N
XLogP5.15
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.08
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 3450844
N-[(E)-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126085583
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
(E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide
CID 91689344
methyl 2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxybenzoate
CID 91689328
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol
CID 57368753
(NZ)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 6299617
ethyl 2-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126088396
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,5-dichloroaniline
CID 66543288
2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 19617611
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126099184
6-bromo-3-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-butylquinazolin-4-one
CID 126327530

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine (CID 91689795) is (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine is COc1cc(/C=N\O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is BEGUUGVQGFAUHU-GXHLCREISA-N. The full InChI is InChI=1S/C15H12BrCl2NO3/c1-21-14-5-10(7-19-20)11(16)6-15(14)22-8-9-2-3-12(17)13(18)4-9/h2-7,20H,8H2,1H3/b19-7-.
What are the key properties of (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 405.08 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 91689795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).