N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide

C17H14BrN3O3 — CID 555178

IUPACN-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide
SMILESCc1cc2c(/N=N/C(=O)COc3ccccc3)c(O)[nH]c2cc1Br
InChIInChI=1S/C17H14BrN3O3/c1-10-7-12-14(8-13(10)18)19-17(23)16(12)21-20-15(22)9-24-11-5-3-2-4-6-11/h2-8,19,23H,9H2,1H3/b21-20+
InChIKeyLDXQONFDCSAIOR-QZQOTICOSA-N
MW388.22 g/mol
LogP4.63
Rot. Bonds4

About N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide

N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide (PubChem CID 555178) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide
PubChem CID555178
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide
SMILESCc1cc2c(/N=N/C(=O)COc3ccccc3)c(O)[nH]c2cc1Br
InChIInChI=1S/C17H14BrN3O3/c1-10-7-12-14(8-13(10)18)19-17(23)16(12)21-20-15(22)9-24-11-5-3-2-4-6-11/h2-8,19,23H,9H2,1H3/b21-20+
InChIKeyLDXQONFDCSAIOR-QZQOTICOSA-N
XLogP4.63
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 54.63
H-Bond Donors ≤ 52
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-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide 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-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide?
The IUPAC name of N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide (CID 555178) is N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide?
The canonical SMILES for N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide is Cc1cc2c(/N=N/C(=O)COc3ccccc3)c(O)[nH]c2cc1Br.
What is the InChIKey of N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide?
The InChIKey is LDXQONFDCSAIOR-QZQOTICOSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-10-7-12-14(8-13(10)18)19-17(23)16(12)21-20-15(22)9-24-11-5-3-2-4-6-11/h2-8,19,23H,9H2,1H3/b21-20+.
What are the key properties of N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide?
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide has a molecular weight of 388.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-phenoxyacetamide is sourced from PubChem (CID 555178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).