N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide

C20H14BrFN2O2 — CID 4033775

IUPACN-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Br)ccc2O)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14BrFN2O2/c21-15-6-9-19(25)14(10-15)12-23-17-2-1-3-18(11-17)24-20(26)13-4-7-16(22)8-5-13/h1-12,25H,(H,24,26)/b23-12+
InChIKeyZJJFSDWBJZXNKB-FSJBWODESA-N
MW413.25 g/mol
LogP5.30
Rot. Bonds4

About N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide

N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide (PubChem CID 4033775) has the molecular formula C20H14BrFN2O2 and a molecular weight of 413.25 g/mol. Its IUPAC name is N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide
PubChem CID4033775
Molecular FormulaC20H14BrFN2O2
Molecular Weight413.25 g/mol
Exact Mass412.02
IUPAC NameN-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Br)ccc2O)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14BrFN2O2/c21-15-6-9-19(25)14(10-15)12-23-17-2-1-3-18(11-17)24-20(26)13-4-7-16(22)8-5-13/h1-12,25H,(H,24,26)/b23-12+
InChIKeyZJJFSDWBJZXNKB-FSJBWODESA-N
XLogP5.30
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.25
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide (CID 4033775) is N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide is O=C(Nc1cccc(/N=C/c2cc(Br)ccc2O)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide?
The InChIKey is ZJJFSDWBJZXNKB-FSJBWODESA-N. The full InChI is InChI=1S/C20H14BrFN2O2/c21-15-6-9-19(25)14(10-15)12-23-17-2-1-3-18(11-17)24-20(26)13-4-7-16(22)8-5-13/h1-12,25H,(H,24,26)/b23-12+.
What are the key properties of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide?
N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide has a molecular weight of 413.25 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 4033775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).