2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide

C20H20BrN3O3 — CID 4501600

IUPAC2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
SMILESCCCn1c(O)c(/N=N/C(=O)COc2ccccc2Br)c2cc(C)ccc21
InChIInChI=1S/C20H20BrN3O3/c1-3-10-24-16-9-8-13(2)11-14(16)19(20(24)26)23-22-18(25)12-27-17-7-5-4-6-15(17)21/h4-9,11,26H,3,10,12H2,1-2H3/b23-22+
InChIKeyCWWCQGWYMVTTTL-GHVJWSGMSA-N
MW430.30 g/mol
LogP5.52
Rot. Bonds6

About 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide

2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide (PubChem CID 4501600) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
PubChem CID4501600
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
SMILESCCCn1c(O)c(/N=N/C(=O)COc2ccccc2Br)c2cc(C)ccc21
InChIInChI=1S/C20H20BrN3O3/c1-3-10-24-16-9-8-13(2)11-14(16)19(20(24)26)23-22-18(25)12-27-17-7-5-4-6-15(17)21/h4-9,11,26H,3,10,12H2,1-2H3/b23-22+
InChIKeyCWWCQGWYMVTTTL-GHVJWSGMSA-N
XLogP5.52
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 55.52
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide (CID 4501600) is 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide is CCCn1c(O)c(/N=N/C(=O)COc2ccccc2Br)c2cc(C)ccc21.
What is the InChIKey of 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide?
The InChIKey is CWWCQGWYMVTTTL-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-3-10-24-16-9-8-13(2)11-14(16)19(20(24)26)23-22-18(25)12-27-17-7-5-4-6-15(17)21/h4-9,11,26H,3,10,12H2,1-2H3/b23-22+.
What are the key properties of 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide?
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide has a molecular weight of 430.30 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide is sourced from PubChem (CID 4501600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).