5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide

C13H11BrN2O3 — CID 5333988

IUPAC5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccco1
InChIInChI=1S/C13H11BrN2O3/c1-8(12-3-2-6-19-12)15-16-13(18)10-7-9(14)4-5-11(10)17/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyAXLUUVIIIDSNQC-OVCLIPMQSA-N
MW323.15 g/mol
LogP2.90
Rot. Bonds3

About 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide

5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 5333988) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide
PubChem CID5333988
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccco1
InChIInChI=1S/C13H11BrN2O3/c1-8(12-3-2-6-19-12)15-16-13(18)10-7-9(14)4-5-11(10)17/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyAXLUUVIIIDSNQC-OVCLIPMQSA-N
XLogP2.90
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide (CID 5333988) is 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide is C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccco1.
What is the InChIKey of 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is AXLUUVIIIDSNQC-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-8(12-3-2-6-19-12)15-16-13(18)10-7-9(14)4-5-11(10)17/h2-7,17H,1H3,(H,16,18)/b15-8+.
What are the key properties of 5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(E)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 323.15 g/mol, XLogP of 2.90, 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)-1-(furan-2-yl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5333988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).