[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine

C14H12BrClN2O — CID 168530433

IUPAC[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
SMILESNN=Cc1cc(Br)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c15-12-4-5-14(11(7-12)8-18-17)19-9-10-2-1-3-13(16)6-10/h1-8H,9,17H2
InChIKeyKOPGGKLLRDMOPL-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.97
Rot. Bonds4

About [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine

[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine (PubChem CID 168530433) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
PubChem CID168530433
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
SMILESNN=Cc1cc(Br)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c15-12-4-5-14(11(7-12)8-18-17)19-9-10-2-1-3-13(16)6-10/h1-8H,9,17H2
InChIKeyKOPGGKLLRDMOPL-UHFFFAOYSA-N
XLogP3.97
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126219778
[2-[(3-bromophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530074
5-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599748
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530089
(5Z)-5-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138388084
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
CID 16728610
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
2-[[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575879
[2-[(3-fluorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168529846

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine?
The IUPAC name of [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine (CID 168530433) is [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine.
What is the SMILES notation for [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine?
The canonical SMILES for [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine is NN=Cc1cc(Br)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine?
The InChIKey is KOPGGKLLRDMOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-12-4-5-14(11(7-12)8-18-17)19-9-10-2-1-3-13(16)6-10/h1-8H,9,17H2.
What are the key properties of [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine?
[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine has a molecular weight of 339.62 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine is sourced from PubChem (CID 168530433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).