N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide

C15H14FN3O4 — CID 135575936

IUPACN'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESC/C(=N\NC(=O)C(=O)NCc1ccco1)c1cc(F)ccc1O
InChIInChI=1S/C15H14FN3O4/c1-9(12-7-10(16)4-5-13(12)20)18-19-15(22)14(21)17-8-11-3-2-6-23-11/h2-7,20H,8H2,1H3,(H,17,21)(H,19,22)/b18-9+
InChIKeyJEDGXLAPGLWRBI-GIJQJNRQSA-N
MW319.29 g/mol
LogP1.28
Rot. Bonds4

About N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 135575936) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID135575936
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC NameN'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESC/C(=N\NC(=O)C(=O)NCc1ccco1)c1cc(F)ccc1O
InChIInChI=1S/C15H14FN3O4/c1-9(12-7-10(16)4-5-13(12)20)18-19-15(22)14(21)17-8-11-3-2-6-23-11/h2-7,20H,8H2,1H3,(H,17,21)(H,19,22)/b18-9+
InChIKeyJEDGXLAPGLWRBI-GIJQJNRQSA-N
XLogP1.28
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide 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

N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135784630
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
5-fluoro-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 79883377
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
N-(furan-2-ylmethyl)acetamide
CID 2394850
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106
N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9028674
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7159946

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 135575936) is N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide is C/C(=N\NC(=O)C(=O)NCc1ccco1)c1cc(F)ccc1O.
What is the InChIKey of N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is JEDGXLAPGLWRBI-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-9(12-7-10(16)4-5-13(12)20)18-19-15(22)14(21)17-8-11-3-2-6-23-11/h2-7,20H,8H2,1H3,(H,17,21)(H,19,22)/b18-9+.
What are the key properties of N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 319.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 135575936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).