N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide

C17H13BrN4O3 — CID 1098345

IUPACN-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H13BrN4O3/c18-11-6-7-13-12(8-11)15(17(25)20-13)22-21-14(23)9-19-16(24)10-4-2-1-3-5-10/h1-8,20,25H,9H2,(H,19,24)/b22-21+
InChIKeyYIIXRAGHLUGBCW-QURGRASLSA-N
MW401.22 g/mol
LogP3.68
Rot. Bonds4

About N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide

N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide (PubChem CID 1098345) has the molecular formula C17H13BrN4O3 and a molecular weight of 401.22 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide
PubChem CID1098345
Molecular FormulaC17H13BrN4O3
Molecular Weight401.22 g/mol
Exact Mass400.02
IUPAC NameN-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H13BrN4O3/c18-11-6-7-13-12(8-11)15(17(25)20-13)22-21-14(23)9-19-16(24)10-4-2-1-3-5-10/h1-8,20,25H,9H2,(H,19,24)/b22-21+
InChIKeyYIIXRAGHLUGBCW-QURGRASLSA-N
XLogP3.68
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide 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 N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide (CID 1098345) is N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The InChIKey is YIIXRAGHLUGBCW-QURGRASLSA-N. The full InChI is InChI=1S/C17H13BrN4O3/c18-11-6-7-13-12(8-11)15(17(25)20-13)22-21-14(23)9-19-16(24)10-4-2-1-3-5-10/h1-8,20,25H,9H2,(H,19,24)/b22-21+.
What are the key properties of N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide?
N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide has a molecular weight of 401.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 1098345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).