5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

C16H12ClN3O2 — CID 135716872

IUPAC5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C16H12ClN3O2/c17-11-5-6-15(21)13(7-11)16(22)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,21H,(H,20,22)/b19-9+
InChIKeyOZYLZPQDYGXYOQ-DJKKODMXSA-N
MW313.74 g/mol
LogP3.29
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135716872) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135716872
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C16H12ClN3O2/c17-11-5-6-15(21)13(7-11)16(22)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,21H,(H,20,22)/b19-9+
InChIKeyOZYLZPQDYGXYOQ-DJKKODMXSA-N
XLogP3.29
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (CID 135716872) is 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is OZYLZPQDYGXYOQ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-5-6-15(21)13(7-11)16(22)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,21H,(H,20,22)/b19-9+.
What are the key properties of 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 313.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135716872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).