5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide

C12H9BrN2O3 — CID 25252621

IUPAC5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccoc1)c1cc(Br)ccc1O
InChIInChI=1S/C12H9BrN2O3/c13-9-1-2-11(16)10(5-9)12(17)15-14-6-8-3-4-18-7-8/h1-7,16H,(H,15,17)/b14-6+
InChIKeyMMRPFTKVRMMKIU-MKMNVTDBSA-N
MW309.12 g/mol
LogP2.51
Rot. Bonds3

About 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide

5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide (PubChem CID 25252621) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide
PubChem CID25252621
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1ccoc1)c1cc(Br)ccc1O
InChIInChI=1S/C12H9BrN2O3/c13-9-1-2-11(16)10(5-9)12(17)15-14-6-8-3-4-18-7-8/h1-7,16H,(H,15,17)/b14-6+
InChIKeyMMRPFTKVRMMKIU-MKMNVTDBSA-N
XLogP2.51
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.51
H-Bond Donors ≤ 52
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

N'-[(E)-furan-3-ylmethylidene]-2-hydroxybenzohydrazide
CID 9637734
4-bromo-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
CID 9700419
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
N'-(5-Bromo-2-hydroxybenzylidene)-4-methoxybenzohydrazide
CID 135403152
[4-bromo-2-[(E)-[[2-[(2-hydroxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6871607
3-Furan-2-yl-acrylic acid 3-bromo-5-[(2-hydroxy-benzoyl)-hydrazonomethyl]-phenyl ester
CID 9591065
2-[(4-bromobenzyl)oxy]-N'-[(1E)-2-furylmethylene]benzohydrazide
CID 20846851
2-[(3-Bromophenyl)methoxy]-N'-[(E)-(5-methylfuran-2-YL)methylidene]benzohydrazide
CID 46497982
N'-[(Z)-(2-Hydroxyphenyl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135900947
2-ethoxy-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
CID 25237193
N'-[(E)-furan-3-ylmethylidene]-2-hydroxy-3,5-di(propan-2-yl)benzohydrazide
CID 25237582
2-bromo-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
CID 25252620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide (CID 25252621) is 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1ccoc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide?
The InChIKey is MMRPFTKVRMMKIU-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-9-1-2-11(16)10(5-9)12(17)15-14-6-8-3-4-18-7-8/h1-7,16H,(H,15,17)/b14-6+.
What are the key properties of 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide has a molecular weight of 309.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-furan-3-ylmethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 25252621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).