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

C24H21N3O3 — CID 17126770

IUPAC3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESCc1ccccc1Cn1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c2ccccc21
InChIInChI=1S/C24H21N3O3/c1-16-6-2-3-7-17(16)14-27-15-19(22-8-4-5-9-23(22)27)13-25-26-24(30)18-10-20(28)12-21(29)11-18/h2-13,15,28-29H,14H2,1H3,(H,26,30)/b25-13+
InChIKeyCNFXUBOJQCPAMH-DHRITJCHSA-N
MW399.45 g/mol
LogP4.17
Rot. Bonds5

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

3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide (PubChem CID 17126770) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
PubChem CID17126770
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESCc1ccccc1Cn1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c2ccccc21
InChIInChI=1S/C24H21N3O3/c1-16-6-2-3-7-17(16)14-27-15-19(22-8-4-5-9-23(22)27)13-25-26-24(30)18-10-20(28)12-21(29)11-18/h2-13,15,28-29H,14H2,1H3,(H,26,30)/b25-13+
InChIKeyCNFXUBOJQCPAMH-DHRITJCHSA-N
XLogP4.17
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]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

2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3389420
3-chloro-4-hydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 172956866
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396339
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
2,4-dimethoxy-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 6187592
N-[[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4665748

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide (CID 17126770) is 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide is Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c2ccccc21.
What is the InChIKey of 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The InChIKey is CNFXUBOJQCPAMH-DHRITJCHSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-6-2-3-7-17(16)14-27-15-19(22-8-4-5-9-23(22)27)13-25-26-24(30)18-10-20(28)12-21(29)11-18/h2-13,15,28-29H,14H2,1H3,(H,26,30)/b25-13+.
What are the key properties of 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide?
3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 17126770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).