2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide

C19H18BrN3O3 — CID 135775220

IUPAC2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H18BrN3O3/c1-11(2)12-6-7-16-15(8-12)18(19(25)21-16)23-22-17(24)10-26-14-5-3-4-13(20)9-14/h3-9,11,21,25H,10H2,1-2H3/b23-22+
InChIKeyFQJUFMIHJNQXGS-GHVJWSGMSA-N
MW416.28 g/mol
LogP5.45
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide

2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide (PubChem CID 135775220) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
PubChem CID135775220
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc(Br)c3)c2c1
InChIInChI=1S/C19H18BrN3O3/c1-11(2)12-6-7-16-15(8-12)18(19(25)21-16)23-22-17(24)10-26-14-5-3-4-13(20)9-14/h3-9,11,21,25H,10H2,1-2H3/b23-22+
InChIKeyFQJUFMIHJNQXGS-GHVJWSGMSA-N
XLogP5.45
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.28
LogP ≤ 55.45
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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Related Compounds

2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135557715
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide
CID 4286470
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811317
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-cyclohexylphenoxy)acetamide
CID 137172279
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767861
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(4-propan-2-ylphenoxy)acetamide
CID 3561394
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135847909

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide (CID 135775220) is 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide is CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc(Br)c3)c2c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
The InChIKey is FQJUFMIHJNQXGS-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-11(2)12-6-7-16-15(8-12)18(19(25)21-16)23-22-17(24)10-26-14-5-3-4-13(20)9-14/h3-9,11,21,25H,10H2,1-2H3/b23-22+.
What are the key properties of 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide?
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide has a molecular weight of 416.28 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135775220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).