4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

C16H13N3O2 — CID 135829858

IUPAC4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C16H13N3O2/c20-13-7-5-11(6-8-13)16(21)19-18-10-12-9-17-15-4-2-1-3-14(12)15/h1-10,17,20H,(H,19,21)/b18-10-
InChIKeyRJJJRWFRTASIQK-ZDLGFXPLSA-N
MW279.30 g/mol
LogP2.64
Rot. Bonds3

About 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135829858) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135829858
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C16H13N3O2/c20-13-7-5-11(6-8-13)16(21)19-18-10-12-9-17-15-4-2-1-3-14(12)15/h1-10,17,20H,(H,19,21)/b18-10-
InChIKeyRJJJRWFRTASIQK-ZDLGFXPLSA-N
XLogP2.64
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.64
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 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (CID 135829858) is 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is RJJJRWFRTASIQK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-13-7-5-11(6-8-13)16(21)19-18-10-12-9-17-15-4-2-1-3-14(12)15/h1-10,17,20H,(H,19,21)/b18-10-.
What are the key properties of 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135829858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).