N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide

C18H15Br2N3O3 — CID 4635264

IUPACN-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2Br)c2cc(Br)ccc21
InChIInChI=1S/C18H15Br2N3O3/c1-2-23-14-8-7-11(19)9-12(14)17(18(23)25)22-21-16(24)10-26-15-6-4-3-5-13(15)20/h3-9,25H,2,10H2,1H3/b22-21+
InChIKeyFNKVYKOCMPRBKK-QURGRASLSA-N
MW481.14 g/mol
LogP5.58
Rot. Bonds5

About N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide

N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide (PubChem CID 4635264) has the molecular formula C18H15Br2N3O3 and a molecular weight of 481.14 g/mol. Its IUPAC name is N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
PubChem CID4635264
Molecular FormulaC18H15Br2N3O3
Molecular Weight481.14 g/mol
Exact Mass478.95
IUPAC NameN-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
SMILESCCn1c(O)c(/N=N/C(=O)COc2ccccc2Br)c2cc(Br)ccc21
InChIInChI=1S/C18H15Br2N3O3/c1-2-23-14-8-7-11(19)9-12(14)17(18(23)25)22-21-16(24)10-26-15-6-4-3-5-13(15)20/h3-9,25H,2,10H2,1H3/b22-21+
InChIKeyFNKVYKOCMPRBKK-QURGRASLSA-N
XLogP5.58
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.14
LogP ≤ 55.58
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'}

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Related Compounds

2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135604139
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N-(5-bromo-2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-naphthalen-1-yloxyacetamide
CID 4635422
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-phenoxyacetamide
CID 135726441
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-[5-bromo-1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2321334
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide?
The IUPAC name of N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide (CID 4635264) is N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide?
The canonical SMILES for N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide is CCn1c(O)c(/N=N/C(=O)COc2ccccc2Br)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide?
The InChIKey is FNKVYKOCMPRBKK-QURGRASLSA-N. The full InChI is InChI=1S/C18H15Br2N3O3/c1-2-23-14-8-7-11(19)9-12(14)17(18(23)25)22-21-16(24)10-26-15-6-4-3-5-13(15)20/h3-9,25H,2,10H2,1H3/b22-21+.
What are the key properties of N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide?
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide has a molecular weight of 481.14 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide is sourced from PubChem (CID 4635264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).