5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide

C15H9Cl2N3O3 — CID 166643276

IUPAC5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc(Cl)ccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C15H9Cl2N3O3/c16-7-2-4-12(21)10(5-7)14(22)20-19-13-9-3-1-8(17)6-11(9)18-15(13)23/h1-6,18,21,23H/b20-19+
InChIKeyAWFFADWTJMFTDW-FMQUCBEESA-N
MW350.16 g/mol
LogP4.81
Rot. Bonds2

About 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide

5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide (PubChem CID 166643276) has the molecular formula C15H9Cl2N3O3 and a molecular weight of 350.16 g/mol. Its IUPAC name is 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide
PubChem CID166643276
Molecular FormulaC15H9Cl2N3O3
Molecular Weight350.16 g/mol
Exact Mass349.00
IUPAC Name5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2cc(Cl)ccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C15H9Cl2N3O3/c16-7-2-4-12(21)10(5-7)14(22)20-19-13-9-3-1-8(17)6-11(9)18-15(13)23/h1-6,18,21,23H/b20-19+
InChIKeyAWFFADWTJMFTDW-FMQUCBEESA-N
XLogP4.81
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide (CID 166643276) is 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide is O=C(/N=N/c1c(O)[nH]c2cc(Cl)ccc12)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide?
The InChIKey is AWFFADWTJMFTDW-FMQUCBEESA-N. The full InChI is InChI=1S/C15H9Cl2N3O3/c16-7-2-4-12(21)10(5-7)14(22)20-19-13-9-3-1-8(17)6-11(9)18-15(13)23/h1-6,18,21,23H/b20-19+.
What are the key properties of 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide?
5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide has a molecular weight of 350.16 g/mol, XLogP of 4.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide is sourced from PubChem (CID 166643276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).