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

C16H13N3O2 — CID 135613205

IUPAC3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C16H13N3O2/c20-13-5-3-4-11(8-13)16(21)19-18-10-12-9-17-15-7-2-1-6-14(12)15/h1-10,17,20H,(H,19,21)/b18-10+
InChIKeySKXOLXVGBYDJDU-VCHYOVAHSA-N
MW279.30 g/mol
LogP2.64
Rot. Bonds3

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

3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135613205) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135613205
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C16H13N3O2/c20-13-5-3-4-11(8-13)16(21)19-18-10-12-9-17-15-7-2-1-6-14(12)15/h1-10,17,20H,(H,19,21)/b18-10+
InChIKeySKXOLXVGBYDJDU-VCHYOVAHSA-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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Related Compounds

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Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135495642
(9Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide
CID 24749268
Tyrphostin AG 808
CID 5329275
2-Hydroxy-N'-(1H-indol-3-ylmethylene)benzohydrazide
CID 135643123
N-Cinnamoyl Serotonin
CID 9995324
Nb-p-Coumaroyltryptamine
CID 5458878
Pyrrolopyridine, 18
CID 16720087
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide
CID 24749270
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]dodecanamide
CID 24749271

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (CID 135613205) is 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is SKXOLXVGBYDJDU-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-13-5-3-4-11(8-13)16(21)19-18-10-12-9-17-15-7-2-1-6-14(12)15/h1-10,17,20H,(H,19,21)/b18-10+.
What are the key properties of 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
3-hydroxy-N-[(E)-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 3-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135613205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).