2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide

C23H22BrN3O3 — CID 71507118

IUPAC2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1Br)N1CC(=O)n2c(cc3ccccc32)C1=O
InChIInChI=1S/C23H22BrN3O3/c1-23(2,3)25-21(29)20(15-9-5-6-10-16(15)24)26-13-19(28)27-17-11-7-4-8-14(17)12-18(27)22(26)30/h4-12,20H,13H2,1-3H3,(H,25,29)
InChIKeySYKHMUXJQRLQDX-UHFFFAOYSA-N
MW468.35 g/mol
LogP4.16
Rot. Bonds3

About 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide

2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide (PubChem CID 71507118) has the molecular formula C23H22BrN3O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
PubChem CID71507118
Molecular FormulaC23H22BrN3O3
Molecular Weight468.35 g/mol
Exact Mass467.08
IUPAC Name2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1Br)N1CC(=O)n2c(cc3ccccc32)C1=O
InChIInChI=1S/C23H22BrN3O3/c1-23(2,3)25-21(29)20(15-9-5-6-10-16(15)24)26-13-19(28)27-17-11-7-4-8-14(17)12-18(27)22(26)30/h4-12,20H,13H2,1-3H3,(H,25,29)
InChIKeySYKHMUXJQRLQDX-UHFFFAOYSA-N
XLogP4.16
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)-2-(furan-2-yl)acetamide
CID 71507041
N-tert-butyl-2-(3-methyl-1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide
CID 71507194
N-tert-butyl-2-(6-methoxy-1-oxo-3H-benzo[f]isoindol-2-yl)-2-phenylacetamide
CID 102337309
methyl (3R)-3-(2-bromophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 102280536
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
tert-butyl 4-[1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 169409829
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
N-tert-butyl-3-oxo-2-phenyl-1,4-dihydropyrazino[1,2-a]indole-1-carboxamide
CID 102524326
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
N-tert-butyl-2-[5-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-6,12-dioxobenzo[c][1,5]benzodiazocin-11-yl]-2-phenylacetamide
CID 15355771
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide (CID 71507118) is 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide is CC(C)(C)NC(=O)C(c1ccccc1Br)N1CC(=O)n2c(cc3ccccc32)C1=O.
What is the InChIKey of 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
The InChIKey is SYKHMUXJQRLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O3/c1-23(2,3)25-21(29)20(15-9-5-6-10-16(15)24)26-13-19(28)27-17-11-7-4-8-14(17)12-18(27)22(26)30/h4-12,20H,13H2,1-3H3,(H,25,29).
What are the key properties of 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide?
2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide has a molecular weight of 468.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-tert-butyl-2-(1,4-dioxo-3H-pyrazino[1,2-a]indol-2-yl)acetamide is sourced from PubChem (CID 71507118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).