N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

C15H12FN3O4 — CID 135684849

IUPACN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O4/c16-10-2-4-11(5-3-10)18-14(22)15(23)19-17-8-9-1-6-12(20)7-13(9)21/h1-8,20-21H,(H,18,22)(H,19,23)/b17-8+
InChIKeyOOVFSBMDFHKVGT-CAOOACKPSA-N
MW317.28 g/mol
LogP1.33
Rot. Bonds3

About N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 135684849) has the molecular formula C15H12FN3O4 and a molecular weight of 317.28 g/mol. Its IUPAC name is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID135684849
Molecular FormulaC15H12FN3O4
Molecular Weight317.28 g/mol
Exact Mass317.08
IUPAC NameN'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O4/c16-10-2-4-11(5-3-10)18-14(22)15(23)19-17-8-9-1-6-12(20)7-13(9)21/h1-8,20-21H,(H,18,22)(H,19,23)/b17-8+
InChIKeyOOVFSBMDFHKVGT-CAOOACKPSA-N
XLogP1.33
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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'}

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Related Compounds

N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
CID 136625821
N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (CID 135684849) is N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is OOVFSBMDFHKVGT-CAOOACKPSA-N. The full InChI is InChI=1S/C15H12FN3O4/c16-10-2-4-11(5-3-10)18-14(22)15(23)19-17-8-9-1-6-12(20)7-13(9)21/h1-8,20-21H,(H,18,22)(H,19,23)/b17-8+.
What are the key properties of N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 317.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 135684849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).