N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide

C19H17Br2N3O4 — CID 1243524

IUPACN-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide
SMILESCOc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(C)cc(Br)cc12
InChIInChI=1S/C19H17Br2N3O4/c1-10-6-12(21)7-13-17(19(26)24(2)18(10)13)23-22-16(25)9-28-14-5-4-11(20)8-15(14)27-3/h4-8,26H,9H2,1-3H3/b23-22+
InChIKeySJFSFIDFSCJCJB-GHVJWSGMSA-N
MW511.17 g/mol
LogP5.42
Rot. Bonds5

About N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide

N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide (PubChem CID 1243524) has the molecular formula C19H17Br2N3O4 and a molecular weight of 511.17 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide
PubChem CID1243524
Molecular FormulaC19H17Br2N3O4
Molecular Weight511.17 g/mol
Exact Mass508.96
IUPAC NameN-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide
SMILESCOc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(C)cc(Br)cc12
InChIInChI=1S/C19H17Br2N3O4/c1-10-6-12(21)7-13-17(19(26)24(2)18(10)13)23-22-16(25)9-28-14-5-4-11(20)8-15(14)27-3/h4-8,26H,9H2,1-3H3/b23-22+
InChIKeySJFSFIDFSCJCJB-GHVJWSGMSA-N
XLogP5.42
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.17
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide (CID 1243524) is N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide is COc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(C)cc(Br)cc12.
What is the InChIKey of N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
The InChIKey is SJFSFIDFSCJCJB-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H17Br2N3O4/c1-10-6-12(21)7-13-17(19(26)24(2)18(10)13)23-22-16(25)9-28-14-5-4-11(20)8-15(14)27-3/h4-8,26H,9H2,1-3H3/b23-22+.
What are the key properties of N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide has a molecular weight of 511.17 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxy-1,7-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 1243524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).