3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

C15H9ClFN3O2 — CID 135784571

IUPAC3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cccc(Cl)c1
InChIInChI=1S/C15H9ClFN3O2/c16-9-3-1-2-8(6-9)14(21)20-19-13-11-7-10(17)4-5-12(11)18-15(13)22/h1-7,18,22H/b20-19+
InChIKeyLNQHRMHNESGSRF-FMQUCBEESA-N
MW317.71 g/mol
LogP4.59
Rot. Bonds2

About 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 135784571) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID135784571
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC Name3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cccc(Cl)c1
InChIInChI=1S/C15H9ClFN3O2/c16-9-3-1-2-8(6-9)14(21)20-19-13-11-7-10(17)4-5-12(11)18-15(13)22/h1-7,18,22H/b20-19+
InChIKeyLNQHRMHNESGSRF-FMQUCBEESA-N
XLogP4.59
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 54.59
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 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 135784571) is 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is LNQHRMHNESGSRF-FMQUCBEESA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-9-3-1-2-8(6-9)14(21)20-19-13-11-7-10(17)4-5-12(11)18-15(13)22/h1-7,18,22H/b20-19+.
What are the key properties of 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 317.71 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 135784571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).