N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide

C21H22BrN3O3 — CID 135604167

IUPACN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C21H22BrN3O3/c1-2-3-7-12-25-18-11-10-15(22)13-17(18)20(21(25)27)24-23-19(26)14-28-16-8-5-4-6-9-16/h4-6,8-11,13,27H,2-3,7,12,14H2,1H3/b24-23+
InChIKeyBBLUXIHLBYOPTK-WCWDXBQESA-N
MW444.33 g/mol
LogP5.99
Rot. Bonds8

About N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide

N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide (PubChem CID 135604167) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
PubChem CID135604167
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC NameN-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C21H22BrN3O3/c1-2-3-7-12-25-18-11-10-15(22)13-17(18)20(21(25)27)24-23-19(26)14-28-16-8-5-4-6-9-16/h4-6,8-11,13,27H,2-3,7,12,14H2,1H3/b24-23+
InChIKeyBBLUXIHLBYOPTK-WCWDXBQESA-N
XLogP5.99
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
CID 135726463
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
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135604139

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide (CID 135604167) is N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide is CCCCCn1c(O)c(/N=N/C(=O)COc2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide?
The InChIKey is BBLUXIHLBYOPTK-WCWDXBQESA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-2-3-7-12-25-18-11-10-15(22)13-17(18)20(21(25)27)24-23-19(26)14-28-16-8-5-4-6-9-16/h4-6,8-11,13,27H,2-3,7,12,14H2,1H3/b24-23+.
What are the key properties of N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide?
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide has a molecular weight of 444.33 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide is sourced from PubChem (CID 135604167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).