3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide

C19H15BrN2O2 — CID 5338647

IUPAC3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H15BrN2O2/c1-24-18-10-9-13-5-2-3-8-16(13)17(18)12-21-22-19(23)14-6-4-7-15(20)11-14/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyIHBOTIRMHKDLDE-CIAFOILYSA-N
MW383.25 g/mol
LogP4.37
Rot. Bonds4

About 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide

3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 5338647) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID5338647
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H15BrN2O2/c1-24-18-10-9-13-5-2-3-8-16(13)17(18)12-21-22-19(23)14-6-4-7-15(20)11-14/h2-12H,1H3,(H,22,23)/b21-12+
InChIKeyIHBOTIRMHKDLDE-CIAFOILYSA-N
XLogP4.37
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 5338647) is 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is IHBOTIRMHKDLDE-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-24-18-10-9-13-5-2-3-8-16(13)17(18)12-21-22-19(23)14-6-4-7-15(20)11-14/h2-12H,1H3,(H,22,23)/b21-12+.
What are the key properties of 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide?
3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 383.25 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 5338647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).