N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

C15H10BrFN4O5 — CID 135684546

IUPACN'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN4O5/c16-9-5-8(13(22)12(6-9)21(25)26)7-18-20-15(24)14(23)19-11-3-1-10(17)2-4-11/h1-7,22H,(H,19,23)(H,20,24)/b18-7+
InChIKeyOOVDGYDCANFVEO-CNHKJKLMSA-N
MW425.17 g/mol
LogP2.29
Rot. Bonds4

About N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide

N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 135684546) has the molecular formula C15H10BrFN4O5 and a molecular weight of 425.17 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID135684546
Molecular FormulaC15H10BrFN4O5
Molecular Weight425.17 g/mol
Exact Mass423.98
IUPAC NameN'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN4O5/c16-9-5-8(13(22)12(6-9)21(25)26)7-18-20-15(24)14(23)19-11-3-1-10(17)2-4-11/h1-7,22H,(H,19,23)(H,20,24)/b18-7+
InChIKeyOOVDGYDCANFVEO-CNHKJKLMSA-N
XLogP2.29
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.17
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide (CID 135684546) is N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is OOVDGYDCANFVEO-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H10BrFN4O5/c16-9-5-8(13(22)12(6-9)21(25)26)7-18-20-15(24)14(23)19-11-3-1-10(17)2-4-11/h1-7,22H,(H,19,23)(H,20,24)/b18-7+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 425.17 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 135684546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).