4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide

C12H9BrN2O3 — CID 722431

IUPAC4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=Cc1ccco1)c1ccc(Br)cc1O
InChIInChI=1S/C12H9BrN2O3/c13-8-3-4-10(11(16)6-8)12(17)15-14-7-9-2-1-5-18-9/h1-7,16H,(H,15,17)
InChIKeyBDROKQGCKPSLJC-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.51
Rot. Bonds3

About 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide

4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide (PubChem CID 722431) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
PubChem CID722431
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=Cc1ccco1)c1ccc(Br)cc1O
InChIInChI=1S/C12H9BrN2O3/c13-8-3-4-10(11(16)6-8)12(17)15-14-7-9-2-1-5-18-9/h1-7,16H,(H,15,17)
InChIKeyBDROKQGCKPSLJC-UHFFFAOYSA-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'}

Analyze 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
CID 135607691
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
5-bromo-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
CID 96892276
4-chloro-2-N-(furan-2-ylmethylideneamino)-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 75212169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide (CID 722431) is 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide is O=C(NN=Cc1ccco1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide?
The InChIKey is BDROKQGCKPSLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-8-3-4-10(11(16)6-8)12(17)15-14-7-9-2-1-5-18-9/h1-7,16H,(H,15,17).
What are the key properties of 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide?
4-bromo-N-(furan-2-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 4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide is sourced from PubChem (CID 722431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).