4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide

C24H17BrN4O4 — CID 156901833

IUPAC4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=Nc1c(-c2c(O)n(Cc3ccc(C(=O)NO)cc3)c3ccc(Br)cc23)[nH]c2ccccc12
InChIInChI=1S/C24H17BrN4O4/c25-15-9-10-19-17(11-15)20(22-21(27-32)16-3-1-2-4-18(16)26-22)24(31)29(19)12-13-5-7-14(8-6-13)23(30)28-33/h1-11,26,31,33H,12H2,(H,28,30)
InChIKeyZHZAYUJPQMNSCB-UHFFFAOYSA-N
MW505.33 g/mol
LogP5.82
Rot. Bonds5

About 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide

4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 156901833) has the molecular formula C24H17BrN4O4 and a molecular weight of 505.33 g/mol. Its IUPAC name is 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID156901833
Molecular FormulaC24H17BrN4O4
Molecular Weight505.33 g/mol
Exact Mass504.04
IUPAC Name4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=Nc1c(-c2c(O)n(Cc3ccc(C(=O)NO)cc3)c3ccc(Br)cc23)[nH]c2ccccc12
InChIInChI=1S/C24H17BrN4O4/c25-15-9-10-19-17(11-15)20(22-21(27-32)16-3-1-2-4-18(16)26-22)24(31)29(19)12-13-5-7-14(8-6-13)23(30)28-33/h1-11,26,31,33H,12H2,(H,28,30)
InChIKeyZHZAYUJPQMNSCB-UHFFFAOYSA-N
XLogP5.82
TPSA119.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.33
LogP ≤ 55.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide 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 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide (CID 156901833) is 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide is O=Nc1c(-c2c(O)n(Cc3ccc(C(=O)NO)cc3)c3ccc(Br)cc23)[nH]c2ccccc12.
What is the InChIKey of 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is ZHZAYUJPQMNSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4O4/c25-15-9-10-19-17(11-15)20(22-21(27-32)16-3-1-2-4-18(16)26-22)24(31)29(19)12-13-5-7-14(8-6-13)23(30)28-33/h1-11,26,31,33H,12H2,(H,28,30).
What are the key properties of 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide?
4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 505.33 g/mol, XLogP of 5.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-2-hydroxy-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 156901833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).