N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide

C26H20BrN3O3 — CID 45055094

IUPACN'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H20BrN3O3/c27-21-14-12-18(13-15-21)17-33-24-11-4-2-7-20(24)16-28-30-26(32)25(31)29-23-10-5-8-19-6-1-3-9-22(19)23/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyLZZBIWQGIQANEK-LQKURTRISA-N
MW502.37 g/mol
LogP5.27
Rot. Bonds6

About N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide

N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 45055094) has the molecular formula C26H20BrN3O3 and a molecular weight of 502.37 g/mol. Its IUPAC name is N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID45055094
Molecular FormulaC26H20BrN3O3
Molecular Weight502.37 g/mol
Exact Mass501.07
IUPAC NameN'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H20BrN3O3/c27-21-14-12-18(13-15-21)17-33-24-11-4-2-7-20(24)16-28-30-26(32)25(31)29-23-10-5-8-19-6-1-3-9-22(19)23/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyLZZBIWQGIQANEK-LQKURTRISA-N
XLogP5.27
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide (CID 45055094) is N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide is O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is LZZBIWQGIQANEK-LQKURTRISA-N. The full InChI is InChI=1S/C26H20BrN3O3/c27-21-14-12-18(13-15-21)17-33-24-11-4-2-7-20(24)16-28-30-26(32)25(31)29-23-10-5-8-19-6-1-3-9-22(19)23/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+.
What are the key properties of N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 502.37 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 45055094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).