N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide

C18H16BrN3O4 — CID 1381444

IUPACN-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc(Br)cc12
InChIInChI=1S/C18H16BrN3O4/c1-10-7-11(19)8-12-16(10)20-18(24)17(12)22-21-15(23)9-26-14-6-4-3-5-13(14)25-2/h3-8,20,24H,9H2,1-2H3/b22-21+
InChIKeyIINVFZWHLCVTDQ-QURGRASLSA-N
MW418.25 g/mol
LogP4.64
Rot. Bonds5

About N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide

N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 1381444) has the molecular formula C18H16BrN3O4 and a molecular weight of 418.25 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
PubChem CID1381444
Molecular FormulaC18H16BrN3O4
Molecular Weight418.25 g/mol
Exact Mass417.03
IUPAC NameN-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc(Br)cc12
InChIInChI=1S/C18H16BrN3O4/c1-10-7-11(19)8-12-16(10)20-18(24)17(12)22-21-15(23)9-26-14-6-4-3-5-13(14)25-2/h3-8,20,24H,9H2,1-2H3/b22-21+
InChIKeyIINVFZWHLCVTDQ-QURGRASLSA-N
XLogP4.64
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 54.64
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide (CID 1381444) is N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is IINVFZWHLCVTDQ-QURGRASLSA-N. The full InChI is InChI=1S/C18H16BrN3O4/c1-10-7-11(19)8-12-16(10)20-18(24)17(12)22-21-15(23)9-26-14-6-4-3-5-13(14)25-2/h3-8,20,24H,9H2,1-2H3/b22-21+.
What are the key properties of N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 418.25 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 1381444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).