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

C12H9BrN2O3 — CID 135541701

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccco1
InChIInChI=1S/C12H9BrN2O3/c13-9-3-4-10(16)8(6-9)7-14-15-12(17)11-2-1-5-18-11/h1-7,16H,(H,15,17)/b14-7+
InChIKeyIWTNGIYGYJMPHA-VGOFMYFVSA-N
MW309.12 g/mol
LogP2.51
Rot. Bonds3

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 135541701) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID135541701
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccco1
InChIInChI=1S/C12H9BrN2O3/c13-9-3-4-10(16)8(6-9)7-14-15-12(17)11-2-1-5-18-11/h1-7,16H,(H,15,17)/b14-7+
InChIKeyIWTNGIYGYJMPHA-VGOFMYFVSA-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': '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

N'-[(E)-phenylmethylidene]furan-2-carbohydrazide
CID 6869164
N'-[(1E,2Z)-3-(2-methoxyphenyl)prop-2-enylidene]-2-furohydrazide
CID 6878929
N'-[3-(benzyloxy)benzylidene]-5-bromo-2-furohydrazide
CID 9564720
5-bromo-N'-[(E)-furan-3-ylmethylidene]-2-hydroxybenzohydrazide
CID 25252621
N'-[(1E,2E)-2-bromo-3-phenylprop-2-en-1-ylidene]furan-2-carbohydrazide
CID 6870669
N'-[(1E,2E)-2-methyl-3-phenylprop-2-enylidene]-2-furohydrazide
CID 9613794
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]furan-2-carboxamide
CID 6878930
N'-[(E)-(2-hydroxyphenyl)methylidene]furan-2-carbohydrazide
CID 135479643
5-bromo-N'-(4-bromobenzylidene)-2-furohydrazide
CID 9564721
CID 16193431
CID 16193431
N-[(E)-2H-chromen-3-ylmethyleneamino]furan-2-carboxamide
CID 134150842
N-[(E)-(2-methyl-2H-chromen-3-yl)methyleneamino]furan-2-carboxamide
CID 134153593

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide (CID 135541701) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccco1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is IWTNGIYGYJMPHA-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-9-3-4-10(16)8(6-9)7-14-15-12(17)11-2-1-5-18-11/h1-7,16H,(H,15,17)/b14-7+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide 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 N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135541701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).