N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide

C15H12BrFN2O2 — CID 137077132

IUPACN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1ccc(O)c(Br)c1
InChIInChI=1S/C15H12BrFN2O2/c16-13-7-11(3-6-14(13)20)9-18-19-15(21)8-10-1-4-12(17)5-2-10/h1-7,9,20H,8H2,(H,19,21)/b18-9+
InChIKeyJOJKYJUHBALILC-GIJQJNRQSA-N
MW351.18 g/mol
LogP2.99
Rot. Bonds4

About N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide

N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 137077132) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID137077132
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1ccc(O)c(Br)c1
InChIInChI=1S/C15H12BrFN2O2/c16-13-7-11(3-6-14(13)20)9-18-19-15(21)8-10-1-4-12(17)5-2-10/h1-7,9,20H,8H2,(H,19,21)/b18-9+
InChIKeyJOJKYJUHBALILC-GIJQJNRQSA-N
XLogP2.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide (CID 137077132) is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(O)c(Br)c1.
What is the InChIKey of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is JOJKYJUHBALILC-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-13-7-11(3-6-14(13)20)9-18-19-15(21)8-10-1-4-12(17)5-2-10/h1-7,9,20H,8H2,(H,19,21)/b18-9+.
What are the key properties of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 351.18 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 137077132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).