2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide

C24H20N4O5 — CID 1080172

IUPAC2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
SMILESCOc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C24H20N4O5/c1-33-20-13-7-4-10-17(20)25-21(30)14-28-18-11-5-2-8-15(18)22(24(28)32)26-27-23(31)16-9-3-6-12-19(16)29/h2-13,29,32H,14H2,1H3,(H,25,30)/b27-26+
InChIKeyRQDAPUUNXMBTJD-CYYJNZCTSA-N
MW444.45 g/mol
LogP4.62
Rot. Bonds6

About 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide

2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide (PubChem CID 1080172) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
PubChem CID1080172
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Name2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
SMILESCOc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C24H20N4O5/c1-33-20-13-7-4-10-17(20)25-21(30)14-28-18-11-5-2-8-15(18)22(24(28)32)26-27-23(31)16-9-3-6-12-19(16)29/h2-13,29,32H,14H2,1H3,(H,25,30)/b27-26+
InChIKeyRQDAPUUNXMBTJD-CYYJNZCTSA-N
XLogP4.62
TPSA125.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The IUPAC name of 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide (CID 1080172) is 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The canonical SMILES for 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide is COc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The InChIKey is RQDAPUUNXMBTJD-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-33-20-13-7-4-10-17(20)25-21(30)14-28-18-11-5-2-8-15(18)22(24(28)32)26-27-23(31)16-9-3-6-12-19(16)29/h2-13,29,32H,14H2,1H3,(H,25,30)/b27-26+.
What are the key properties of 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide has a molecular weight of 444.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-hydroxy-1-[2-(2-methoxyanilino)-2-oxoethyl]indol-3-yl]iminobenzamide is sourced from PubChem (CID 1080172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).