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

C19H17Br2N3O4 — CID 1381413

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

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

N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide (PubChem CID 1381413) has the molecular formula C19H17Br2N3O4 and a molecular weight of 511.17 g/mol. Its IUPAC name is N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide
PubChem CID1381413
Molecular FormulaC19H17Br2N3O4
Molecular Weight511.17 g/mol
Exact Mass508.96
IUPAC NameN-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide
SMILESCOc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(Br)cc(C)cc12
InChIInChI=1S/C19H17Br2N3O4/c1-10-6-12-17(19(26)24(2)18(12)13(21)7-10)23-22-16(25)9-28-14-5-4-11(20)8-15(14)27-3/h4-8,26H,9H2,1-3H3/b23-22+
InChIKeyMWFIAROGOQCQPL-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'}

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Related Compounds

N-(5,7-dibromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 3659038
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 1043453
N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1243514
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-bromophenoxy)acetamide
CID 4635264
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
N-[5-bromo-1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 135604139
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide (CID 1381413) is N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide is COc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)n(C)c2c(Br)cc(C)cc12.
What is the InChIKey of N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
The InChIKey is MWFIAROGOQCQPL-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H17Br2N3O4/c1-10-6-12-17(19(26)24(2)18(12)13(21)7-10)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-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide?
N-(7-bromo-2-hydroxy-1,5-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-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 1381413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).