5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide

C24H19BrN4O4 — CID 1048811

IUPAC5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3cc(Br)ccc3O)c3ccccc32)cc1
InChIInChI=1S/C24H19BrN4O4/c1-14-6-9-16(10-7-14)26-21(31)13-29-19-5-3-2-4-17(19)22(24(29)33)27-28-23(32)18-12-15(25)8-11-20(18)30/h2-12,30,33H,13H2,1H3,(H,26,31)/b28-27+
InChIKeyOSCASUGTPZOJFA-BYYHNAKLSA-N
MW507.34 g/mol
LogP5.69
Rot. Bonds5

About 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide

5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide (PubChem CID 1048811) has the molecular formula C24H19BrN4O4 and a molecular weight of 507.34 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
PubChem CID1048811
Molecular FormulaC24H19BrN4O4
Molecular Weight507.34 g/mol
Exact Mass506.06
IUPAC Name5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3cc(Br)ccc3O)c3ccccc32)cc1
InChIInChI=1S/C24H19BrN4O4/c1-14-6-9-16(10-7-14)26-21(31)13-29-19-5-3-2-4-17(19)22(24(29)33)27-28-23(32)18-12-15(25)8-11-20(18)30/h2-12,30,33H,13H2,1H3,(H,26,31)/b28-27+
InChIKeyOSCASUGTPZOJFA-BYYHNAKLSA-N
XLogP5.69
TPSA116.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.34
LogP ≤ 55.69
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'}

Analyze 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-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 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide (CID 1048811) is 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide is Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3cc(Br)ccc3O)c3ccccc32)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
The InChIKey is OSCASUGTPZOJFA-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H19BrN4O4/c1-14-6-9-16(10-7-14)26-21(31)13-29-19-5-3-2-4-17(19)22(24(29)33)27-28-23(32)18-12-15(25)8-11-20(18)30/h2-12,30,33H,13H2,1H3,(H,26,31)/b28-27+.
What are the key properties of 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide?
5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide has a molecular weight of 507.34 g/mol, XLogP of 5.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]iminobenzamide is sourced from PubChem (CID 1048811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).