2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C20H20BrN3O3 — CID 4922230

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c(Br)c1
InChIInChI=1S/C20H20BrN3O3/c1-20(2,3)12-8-9-16(14(21)10-12)27-11-17(25)23-24-18-13-6-4-5-7-15(13)22-19(18)26/h4-10,22,26H,11H2,1-3H3/b24-23+
InChIKeyXQJNLCDNCGSMJN-WCWDXBQESA-N
MW430.30 g/mol
LogP5.62
Rot. Bonds4

About 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 4922230) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID4922230
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c(Br)c1
InChIInChI=1S/C20H20BrN3O3/c1-20(2,3)12-8-9-16(14(21)10-12)27-11-17(25)23-24-18-13-6-4-5-7-15(13)22-19(18)26/h4-10,22,26H,11H2,1-3H3/b24-23+
InChIKeyXQJNLCDNCGSMJN-WCWDXBQESA-N
XLogP5.62
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 55.62
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-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1125969
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzamide
CID 5153691
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1494119
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4922415
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 172990739
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
CID 4927327
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
CID 135576558

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 4922230) is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CC(C)(C)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is XQJNLCDNCGSMJN-WCWDXBQESA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-20(2,3)12-8-9-16(14(21)10-12)27-11-17(25)23-24-18-13-6-4-5-7-15(13)22-19(18)26/h4-10,22,26H,11H2,1-3H3/b24-23+.
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 430.30 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 4922230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).