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

C18H16BrN3O3 — CID 1072202

IUPACN-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)COc3ccccc3C)c2c1
InChIInChI=1S/C18H16BrN3O3/c1-10-7-12-16(13(19)8-10)20-18(24)17(12)22-21-15(23)9-25-14-6-4-3-5-11(14)2/h3-8,20,24H,9H2,1-2H3/b22-21+
InChIKeyNLSFPSLHGZDCPA-QURGRASLSA-N
MW402.25 g/mol
LogP4.94
Rot. Bonds4

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

N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide (PubChem CID 1072202) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
PubChem CID1072202
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
SMILESCc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)COc3ccccc3C)c2c1
InChIInChI=1S/C18H16BrN3O3/c1-10-7-12-16(13(19)8-10)20-18(24)17(12)22-21-15(23)9-25-14-6-4-3-5-11(14)2/h3-8,20,24H,9H2,1-2H3/b22-21+
InChIKeyNLSFPSLHGZDCPA-QURGRASLSA-N
XLogP4.94
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.94
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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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide (CID 1072202) is N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide is Cc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)COc3ccccc3C)c2c1.
What is the InChIKey of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
The InChIKey is NLSFPSLHGZDCPA-QURGRASLSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-10-7-12-16(13(19)8-10)20-18(24)17(12)22-21-15(23)9-25-14-6-4-3-5-11(14)2/h3-8,20,24H,9H2,1-2H3/b22-21+.
What are the key properties of N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide?
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide has a molecular weight of 402.25 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1072202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).