2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide

C19H15BrN2O3 — CID 20846851

IUPAC2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3/c20-15-9-7-14(8-10-15)13-25-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-24-16/h1-12H,13H2,(H,22,23)/b21-12+
InChIKeyPJIWVCXHHYRWTN-CIAFOILYSA-N
MW399.24 g/mol
LogP4.39
Rot. Bonds6

About 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide

2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide (PubChem CID 20846851) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide
PubChem CID20846851
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3/c20-15-9-7-14(8-10-15)13-25-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-24-16/h1-12H,13H2,(H,22,23)/b21-12+
InChIKeyPJIWVCXHHYRWTN-CIAFOILYSA-N
XLogP4.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide (CID 20846851) is 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The InChIKey is PJIWVCXHHYRWTN-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c20-15-9-7-14(8-10-15)13-25-18-6-2-1-5-17(18)19(23)22-21-12-16-4-3-11-24-16/h1-12H,13H2,(H,22,23)/b21-12+.
What are the key properties of 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide?
2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide has a molecular weight of 399.24 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-N-[(E)-furan-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 20846851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).