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

C13H11FN2O3 — CID 135784630

IUPACN-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1cc(F)ccc1O
InChIInChI=1S/C13H11FN2O3/c1-8(10-7-9(14)4-5-11(10)17)15-16-13(18)12-3-2-6-19-12/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyYLLQLLJFRPMNKU-OVCLIPMQSA-N
MW262.24 g/mol
LogP2.28
Rot. Bonds3

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

N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 135784630) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
PubChem CID135784630
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC NameN-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1cc(F)ccc1O
InChIInChI=1S/C13H11FN2O3/c1-8(10-7-9(14)4-5-11(10)17)15-16-13(18)12-3-2-6-19-12/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyYLLQLLJFRPMNKU-OVCLIPMQSA-N
XLogP2.28
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.28
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)-1-(2,4-dihydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135644319
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575936
N-[(E)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]furan-2-carboxamide
CID 5412328
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide
CID 136915218
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide (CID 135784630) is N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide is C/C(=N\NC(=O)c1ccco1)c1cc(F)ccc1O.
What is the InChIKey of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is YLLQLLJFRPMNKU-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8(10-7-9(14)4-5-11(10)17)15-16-13(18)12-3-2-6-19-12/h2-7,17H,1H3,(H,16,18)/b15-8+.
What are the key properties of N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide?
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135784630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).