3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

C17H15N3O3 — CID 135403084

IUPAC3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C17H15N3O3/c1-10-15(14-4-2-3-5-16(14)19-10)9-18-20-17(23)11-6-12(21)8-13(22)7-11/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+
InChIKeyGJNVHMCXYKALNN-GIJQJNRQSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds3

About 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135403084) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135403084
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C17H15N3O3/c1-10-15(14-4-2-3-5-16(14)19-10)9-18-20-17(23)11-6-12(21)8-13(22)7-11/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+
InChIKeyGJNVHMCXYKALNN-GIJQJNRQSA-N
XLogP2.65
TPSA97.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135954578
3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135931425
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 2328373
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 136732453
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 135615472
2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
CID 135435758

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (CID 135403084) is 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is GJNVHMCXYKALNN-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-15(14-4-2-3-5-16(14)19-10)9-18-20-17(23)11-6-12(21)8-13(22)7-11/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+.
What are the key properties of 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135403084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).