4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

C15H9F2N3O2 — CID 135836764

IUPAC4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc(F)ccc12)c1ccc(F)cc1
InChIInChI=1S/C15H9F2N3O2/c16-9-3-1-8(2-4-9)14(21)20-19-13-11-6-5-10(17)7-12(11)18-15(13)22/h1-7,18,22H/b20-19+
InChIKeyWTMRNEUOCDEIJE-FMQUCBEESA-N
MW301.25 g/mol
LogP4.08
Rot. Bonds2

About 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 135836764) has the molecular formula C15H9F2N3O2 and a molecular weight of 301.25 g/mol. Its IUPAC name is 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID135836764
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC Name4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc(F)ccc12)c1ccc(F)cc1
InChIInChI=1S/C15H9F2N3O2/c16-9-3-1-8(2-4-9)14(21)20-19-13-11-6-5-10(17)7-12(11)18-15(13)22/h1-7,18,22H/b20-19+
InChIKeyWTMRNEUOCDEIJE-FMQUCBEESA-N
XLogP4.08
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 54.08
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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Related Compounds

4-amino-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135735285
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 135836838
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135836811
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
ethyl N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]carbamate
CID 135836804
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 135677318
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1,3-benzodioxole-5-carboxamide
CID 703979

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 135836764) is 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is O=C(/N=N/c1c(O)[nH]c2cc(F)ccc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is WTMRNEUOCDEIJE-FMQUCBEESA-N. The full InChI is InChI=1S/C15H9F2N3O2/c16-9-3-1-8(2-4-9)14(21)20-19-13-11-6-5-10(17)7-12(11)18-15(13)22/h1-7,18,22H/b20-19+.
What are the key properties of 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 301.25 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 135836764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).