5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide

C13H11BrN2O3 — CID 135685001

IUPAC5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(Br)o1)c1ccccc1O
InChIInChI=1S/C13H11BrN2O3/c1-8(9-4-2-3-5-10(9)17)15-16-13(18)11-6-7-12(14)19-11/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyKAPYRDLCCBFSDZ-OVCLIPMQSA-N
MW323.15 g/mol
LogP2.90
Rot. Bonds3

About 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide

5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 135685001) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
PubChem CID135685001
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(Br)o1)c1ccccc1O
InChIInChI=1S/C13H11BrN2O3/c1-8(9-4-2-3-5-10(9)17)15-16-13(18)11-6-7-12(14)19-11/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyKAPYRDLCCBFSDZ-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': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
CID 6149535
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
CID 136660084
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide (CID 135685001) is 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide is C/C(=N\NC(=O)c1ccc(Br)o1)c1ccccc1O.
What is the InChIKey of 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is KAPYRDLCCBFSDZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-8(9-4-2-3-5-10(9)17)15-16-13(18)11-6-7-12(14)19-11/h2-7,17H,1H3,(H,16,18)/b15-8+.
What are the key properties of 5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide 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-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135685001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).