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

C24H20N4O4 — CID 1098386

IUPAC2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
SMILESCc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C24H20N4O4/c1-15-8-2-5-11-18(15)25-21(30)14-28-19-12-6-3-9-16(19)22(24(28)32)26-27-23(31)17-10-4-7-13-20(17)29/h2-13,29,32H,14H2,1H3,(H,25,30)/b27-26+
InChIKeyQTGVMJARVQJAHT-CYYJNZCTSA-N
MW428.45 g/mol
LogP4.92
Rot. Bonds5

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

2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide (PubChem CID 1098386) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
PubChem CID1098386
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
SMILESCc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C24H20N4O4/c1-15-8-2-5-11-18(15)25-21(30)14-28-19-12-6-3-9-16(19)22(24(28)32)26-27-23(31)17-10-4-7-13-20(17)29/h2-13,29,32H,14H2,1H3,(H,25,30)/b27-26+
InChIKeyQTGVMJARVQJAHT-CYYJNZCTSA-N
XLogP4.92
TPSA116.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 27
CID 6539942
2-(3-Hydrazono-2-oxo-2,3-dihydro-indol-1-yl)-N-phenyl-acetamide
CID 678592
(E)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-(p-tolylamino)acetohydrazide
CID 773026
N-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 821643
2-(3-(2-(5-bromo-2-hydroxybenzoyl)hydrazono)-2-oxoindolin-1-yl)-N-p-tolylacetamide
CID 1048811
N'-[(3Z)-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 1581054
N'-[(3E)-1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
CID 1626958
N'-[(3Z)-1-[(4-Chlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
CID 4262768
(Z)-N'-(2-oxo-1-propylindolin-3-ylidene)benzohydrazide
CID 5030390

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The IUPAC name of 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide (CID 1098386) is 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The canonical SMILES for 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide is Cc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The InChIKey is QTGVMJARVQJAHT-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15-8-2-5-11-18(15)25-21(30)14-28-19-12-6-3-9-16(19)22(24(28)32)26-27-23(31)17-10-4-7-13-20(17)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-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide has a molecular weight of 428.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-hydroxy-1-[2-(2-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide is sourced from PubChem (CID 1098386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).