4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

C25H19BrN2O2 — CID 91972520

IUPAC4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1
InChIInChI=1S/C25H19BrN2O2/c26-22-12-10-20(11-13-22)25(29)28-27-16-18-8-14-23(15-9-18)30-17-21-6-3-5-19-4-1-2-7-24(19)21/h1-16H,17H2,(H,28,29)/b27-16+
InChIKeyJLGNLVKUMXHDFK-JVWAILMASA-N
MW459.34 g/mol
LogP5.95
Rot. Bonds6

About 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (PubChem CID 91972520) has the molecular formula C25H19BrN2O2 and a molecular weight of 459.34 g/mol. Its IUPAC name is 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
PubChem CID91972520
Molecular FormulaC25H19BrN2O2
Molecular Weight459.34 g/mol
Exact Mass458.06
IUPAC Name4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1
InChIInChI=1S/C25H19BrN2O2/c26-22-12-10-20(11-13-22)25(29)28-27-16-18-8-14-23(15-9-18)30-17-21-6-3-5-19-4-1-2-7-24(19)21/h1-16H,17H2,(H,28,29)/b27-16+
InChIKeyJLGNLVKUMXHDFK-JVWAILMASA-N
XLogP5.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246141
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 126193121
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
4-bromo-N-[(Z)-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126373594
N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6115725
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126140667

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (CID 91972520) is 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is JLGNLVKUMXHDFK-JVWAILMASA-N. The full InChI is InChI=1S/C25H19BrN2O2/c26-22-12-10-20(11-13-22)25(29)28-27-16-18-8-14-23(15-9-18)30-17-21-6-3-5-19-4-1-2-7-24(19)21/h1-16H,17H2,(H,28,29)/b27-16+.
What are the key properties of 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 459.34 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 91972520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).