(NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H10Br2FNO2 — CID 126048844

IUPAC(NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1
InChIInChI=1S/C14H10Br2FNO2/c15-11-5-10(7-18-19)14(13(16)6-11)20-8-9-2-1-3-12(17)4-9/h1-7,19H,8H2/b18-7-
InChIKeyMWCICQPRNUOPDS-WSVATBPTSA-N
MW403.05 g/mol
LogP4.74
Rot. Bonds4

About (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

(NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 126048844) has the molecular formula C14H10Br2FNO2 and a molecular weight of 403.05 g/mol. Its IUPAC name is (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID126048844
Molecular FormulaC14H10Br2FNO2
Molecular Weight403.05 g/mol
Exact Mass400.91
IUPAC Name(NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1
InChIInChI=1S/C14H10Br2FNO2/c15-11-5-10(7-18-19)14(13(16)6-11)20-8-9-2-1-3-12(17)4-9/h1-7,19H,8H2/b18-7-
InChIKeyMWCICQPRNUOPDS-WSVATBPTSA-N
XLogP4.74
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.05
LogP ≤ 54.74
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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Related Compounds

2-(Benzyloxy)-3,5-dibromobenzaldehyde oxime
CID 6874484
5-Bromo-2-[(3-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898098
4-(Benzyloxy)-3-bromobenzaldehyde oxime
CID 6898112
5-Bromo-2-(2-propyn-1-yloxy)benzaldehyde oxime
CID 6898144
2-[(2-Fluorobenzyl)oxy]benzaldehyde oxime
CID 6898163
5-Bromo-2-[(4-methylbenzyl)oxy]benzaldehyde oxime
CID 6898195
5-Bromo-2-[(4-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898227
5-Bromo-2-[(2-fluorobenzyl)oxy]benzaldehyde oxime
CID 6898238
(2E)-2-{5-bromo-2-[(4-fluorobenzyl)oxy]benzylidene}hydrazinecarboximidamide
CID 16728611
5-Bromo-2-propoxybenzaldehyde oxime
CID 6894153
(E)-N-[(5-bromo-2-methoxyphenyl)methylidene]hydroxylamine
CID 9677294
5-Bromo-2-ethoxybenzaldehyde oxime
CID 6898114

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 126048844) is (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is O/N=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1.
What is the InChIKey of (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is MWCICQPRNUOPDS-WSVATBPTSA-N. The full InChI is InChI=1S/C14H10Br2FNO2/c15-11-5-10(7-18-19)14(13(16)6-11)20-8-9-2-1-3-12(17)4-9/h1-7,19H,8H2/b18-7-.
What are the key properties of (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 403.05 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3,5-dibromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 126048844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).