2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

C17H15N3O3 — CID 135421610

IUPAC2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H15N3O3/c1-10-14(12-4-2-3-5-15(12)19-10)9-18-20-17(23)13-7-6-11(21)8-16(13)22/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+
InChIKeyRSFSKEJTKDEEEP-GIJQJNRQSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds3

About 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide

2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135421610) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135421610
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H15N3O3/c1-10-14(12-4-2-3-5-15(12)19-10)9-18-20-17(23)13-7-6-11(21)8-16(13)22/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+
InChIKeyRSFSKEJTKDEEEP-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'}

Analyze 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 2328373
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
CID 136899350
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 135615472
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 136732453
2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
CID 135435758
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
1-(4-fluorophenyl)-2,5-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrrole-3-carboxamide
CID 135676374
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2325178

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide (CID 135421610) is 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is RSFSKEJTKDEEEP-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-14(12-4-2-3-5-15(12)19-10)9-18-20-17(23)13-7-6-11(21)8-16(13)22/h2-9,19,21-22H,1H3,(H,20,23)/b18-9+.
What are the key properties of 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide?
2,4-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 2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135421610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).