N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide

C17H13Br2N3O3 — CID 5090132

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H13Br2N3O3/c1-9-6-10(18)3-5-14(9)25-8-15(23)21-22-16-12-7-11(19)2-4-13(12)20-17(16)24/h2-7,20,24H,8H2,1H3/b22-21+
InChIKeyUSFHEVJDVNQOCH-QURGRASLSA-N
MW467.12 g/mol
LogP5.40
Rot. Bonds4

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide (PubChem CID 5090132) has the molecular formula C17H13Br2N3O3 and a molecular weight of 467.12 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
PubChem CID5090132
Molecular FormulaC17H13Br2N3O3
Molecular Weight467.12 g/mol
Exact Mass464.93
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H13Br2N3O3/c1-9-6-10(18)3-5-14(9)25-8-15(23)21-22-16-12-7-11(19)2-4-13(12)20-17(16)24/h2-7,20,24H,8H2,1H3/b22-21+
InChIKeyUSFHEVJDVNQOCH-QURGRASLSA-N
XLogP5.40
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.12
LogP ≤ 55.40
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'}

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Related Compounds

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 1043453
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 171975472
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-cyclohexylphenoxy)acetamide
CID 137172279
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 3697562

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide (CID 5090132) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide is Cc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide?
The InChIKey is USFHEVJDVNQOCH-QURGRASLSA-N. The full InChI is InChI=1S/C17H13Br2N3O3/c1-9-6-10(18)3-5-14(9)25-8-15(23)21-22-16-12-7-11(19)2-4-13(12)20-17(16)24/h2-7,20,24H,8H2,1H3/b22-21+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide has a molecular weight of 467.12 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide is sourced from PubChem (CID 5090132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).