2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide

C19H18BrN3O4 — CID 1125952

IUPAC2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide
SMILESCOc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(C)cccc12
InChIInChI=1S/C19H18BrN3O4/c1-11-5-4-6-13-17(19(25)23(2)18(11)13)22-21-16(24)10-27-14-8-7-12(20)9-15(14)26-3/h4-9,25H,10H2,1-3H3/b22-21+
InChIKeyIXACHWVIVVQGNL-QURGRASLSA-N
MW432.27 g/mol
LogP4.65
Rot. Bonds5

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

2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide (PubChem CID 1125952) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide
PubChem CID1125952
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide
SMILESCOc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(C)cccc12
InChIInChI=1S/C19H18BrN3O4/c1-11-5-4-6-13-17(19(25)23(2)18(11)13)22-21-16(24)10-27-14-8-7-12(20)9-15(14)26-3/h4-9,25H,10H2,1-3H3/b22-21+
InChIKeyIXACHWVIVVQGNL-QURGRASLSA-N
XLogP4.65
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 54.65
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'}

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Related Compounds

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CID 3559565
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CID 3706450
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CID 1104267
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CID 1216112
CID 1216112
CID 3822051
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CID 788848
CID 788848
CID 1352229
CID 1352229
CID 1072202
CID 1072202
CID 1381444
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CID 1381523
CID 1381523
CID 135650423
CID 135650423

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide (CID 1125952) is 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide is COc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(C)cccc12.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
The InChIKey is IXACHWVIVVQGNL-QURGRASLSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-11-5-4-6-13-17(19(25)23(2)18(11)13)22-21-16(24)10-27-14-8-7-12(20)9-15(14)26-3/h4-9,25H,10H2,1-3H3/b22-21+.
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide?
2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide has a molecular weight of 432.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-N-(2-hydroxy-1,7-dimethylindol-3-yl)iminoacetamide is sourced from PubChem (CID 1125952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).