N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide

C15H11Br2FN2O2 — CID 136743303

IUPACN-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H11Br2FN2O2/c16-12-5-10(6-13(17)15(12)22)8-19-20-14(21)7-9-1-3-11(18)4-2-9/h1-6,8,22H,7H2,(H,20,21)/b19-8+
InChIKeyFTKHKOQGKDPWFR-UFWORHAWSA-N
MW430.07 g/mol
LogP3.75
Rot. Bonds4

About N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 136743303) has the molecular formula C15H11Br2FN2O2 and a molecular weight of 430.07 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID136743303
Molecular FormulaC15H11Br2FN2O2
Molecular Weight430.07 g/mol
Exact Mass427.92
IUPAC NameN-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H11Br2FN2O2/c16-12-5-10(6-13(17)15(12)22)8-19-20-14(21)7-9-1-3-11(18)4-2-9/h1-6,8,22H,7H2,(H,20,21)/b19-8+
InChIKeyFTKHKOQGKDPWFR-UFWORHAWSA-N
XLogP3.75
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.07
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135517032
Carbohydrazide derivative, 3h
CID 135579261
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 285507
N'-(5-bromo-2-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 135517170
4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135569113
Carbohydrazide derivative, 3g
CID 135458749
Carbohydrazide derivative, 3r
CID 135867738
(4-Methoxy-phenyl)-acetic acid (3,5-dibromo-4-hydroxy-benzylidene)-hydrazide
CID 135452797
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 135676088
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455568
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135504477

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide (CID 136743303) is N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is FTKHKOQGKDPWFR-UFWORHAWSA-N. The full InChI is InChI=1S/C15H11Br2FN2O2/c16-12-5-10(6-13(17)15(12)22)8-19-20-14(21)7-9-1-3-11(18)4-2-9/h1-6,8,22H,7H2,(H,20,21)/b19-8+.
What are the key properties of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 430.07 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 136743303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).