N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide

C15H9BrFN3O2 — CID 3283678

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(F)c1
InChIInChI=1S/C15H9BrFN3O2/c16-9-4-5-12-11(7-9)13(15(22)18-12)19-20-14(21)8-2-1-3-10(17)6-8/h1-7,18,22H/b20-19+
InChIKeyZPEUGCCDTJTUNA-FMQUCBEESA-N
MW362.16 g/mol
LogP4.70
Rot. Bonds2

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide (PubChem CID 3283678) has the molecular formula C15H9BrFN3O2 and a molecular weight of 362.16 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide
PubChem CID3283678
Molecular FormulaC15H9BrFN3O2
Molecular Weight362.16 g/mol
Exact Mass360.99
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(F)c1
InChIInChI=1S/C15H9BrFN3O2/c16-9-4-5-12-11(7-9)13(15(22)18-12)19-20-14(21)8-2-1-3-10(17)6-8/h1-7,18,22H/b20-19+
InChIKeyZPEUGCCDTJTUNA-FMQUCBEESA-N
XLogP4.70
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide (CID 3283678) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide is O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cccc(F)c1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide?
The InChIKey is ZPEUGCCDTJTUNA-FMQUCBEESA-N. The full InChI is InChI=1S/C15H9BrFN3O2/c16-9-4-5-12-11(7-9)13(15(22)18-12)19-20-14(21)8-2-1-3-10(17)6-8/h1-7,18,22H/b20-19+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide has a molecular weight of 362.16 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-fluorobenzamide is sourced from PubChem (CID 3283678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).