N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide

C23H17BrClN3O3 — CID 135726441

IUPACN-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccc(Br)cc12
InChIInChI=1S/C23H17BrClN3O3/c24-16-10-11-20-18(12-16)22(23(30)28(20)13-15-6-4-5-9-19(15)25)27-26-21(29)14-31-17-7-2-1-3-8-17/h1-12,30H,13-14H2/b27-26+
InChIKeyFHBHRQDQDXCJQJ-CYYJNZCTSA-N
MW498.76 g/mol
LogP6.50
Rot. Bonds6

About N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide

N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide (PubChem CID 135726441) has the molecular formula C23H17BrClN3O3 and a molecular weight of 498.76 g/mol. Its IUPAC name is N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
PubChem CID135726441
Molecular FormulaC23H17BrClN3O3
Molecular Weight498.76 g/mol
Exact Mass497.01
IUPAC NameN-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccc(Br)cc12
InChIInChI=1S/C23H17BrClN3O3/c24-16-10-11-20-18(12-16)22(23(30)28(20)13-15-6-4-5-9-19(15)25)27-26-21(29)14-31-17-7-2-1-3-8-17/h1-12,30H,13-14H2/b27-26+
InChIKeyFHBHRQDQDXCJQJ-CYYJNZCTSA-N
XLogP6.50
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.76
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-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

Related Compounds

N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135604139
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
CID 135604198
N-[5-chloro-2-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]imino-2-(4-methylphenoxy)acetamide
CID 135571523
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-4-nitrobenzamide
CID 135604124
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179335
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide?
The IUPAC name of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide (CID 135726441) is N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide.
What is the SMILES notation for N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide?
The canonical SMILES for N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide is O=C(COc1ccccc1)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccc(Br)cc12.
What is the InChIKey of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide?
The InChIKey is FHBHRQDQDXCJQJ-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H17BrClN3O3/c24-16-10-11-20-18(12-16)22(23(30)28(20)13-15-6-4-5-9-19(15)25)27-26-21(29)14-31-17-7-2-1-3-8-17/h1-12,30H,13-14H2/b27-26+.
What are the key properties of N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide?
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide has a molecular weight of 498.76 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide is sourced from PubChem (CID 135726441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).