2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

C20H17BrN2O3 — CID 46497982

IUPAC2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)o1
InChIInChI=1S/C20H17BrN2O3/c1-14-9-10-17(26-14)12-22-23-20(24)18-7-2-3-8-19(18)25-13-15-5-4-6-16(21)11-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyXJPBPQNKLVQFOI-WSDLNYQXSA-N
MW413.27 g/mol
LogP4.69
Rot. Bonds6

About 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 46497982) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID46497982
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)o1
InChIInChI=1S/C20H17BrN2O3/c1-14-9-10-17(26-14)12-22-23-20(24)18-7-2-3-8-19(18)25-13-15-5-4-6-16(21)11-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyXJPBPQNKLVQFOI-WSDLNYQXSA-N
XLogP4.69
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.69
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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Related Compounds

2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide
CID 6881299
2-(benzyloxy)-N'-[2-(2-propynyloxy)benzylidene]benzohydrazide
CID 9609512
2-methoxy-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9620966
5-bromo-N'-[(E)-furan-3-ylmethylidene]-2-hydroxybenzohydrazide
CID 25252621
Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
CID 9836739
N'-(3-(Benzyloxy)benzylidene)-4-bromobenzohydrazide
CID 6868981
Pnu-74654
CID 60119583
4-bromo-N'-[(E)-(2-methoxyphenyl)methylidene]benzohydrazide
CID 6870906
N'-[(4,5-dibromo-2-furyl)methylene]-3-methylbenzohydrazide
CID 6872942
2-[(4-fluorophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907175
N'-[(E)-[4-(Benzyloxy)phenyl]methylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 9557076
4-[(3-bromobenzyl)oxy]-N'-(3-methoxybenzylidene)benzohydrazide
CID 9585083

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 46497982) is 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)o1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is XJPBPQNKLVQFOI-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-14-9-10-17(26-14)12-22-23-20(24)18-7-2-3-8-19(18)25-13-15-5-4-6-16(21)11-15/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 413.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 46497982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).