2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide

C14H18BrN3O2 — CID 43255232

IUPAC2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(N)c2c(Br)cccc21
InChIInChI=1S/C14H18BrN3O2/c1-8(2)6-17-11(19)7-18-10-5-3-4-9(15)12(10)13(16)14(18)20/h3-5,8,13H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyQVFKUFOJHDUTNQ-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.57
Rot. Bonds4

About 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide

2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 43255232) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID43255232
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(N)c2c(Br)cccc21
InChIInChI=1S/C14H18BrN3O2/c1-8(2)6-17-11(19)7-18-10-5-3-4-9(15)12(10)13(16)14(18)20/h3-5,8,13H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyQVFKUFOJHDUTNQ-UHFFFAOYSA-N
XLogP1.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255159
3-amino-4-bromo-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43255225
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methylpropyl)acetamide
CID 98869412
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43255280
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 61355309
3-amino-4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255213
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597
4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104118
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
2-(3-amino-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
CID 62101797

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide (CID 43255232) is 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1C(=O)C(N)c2c(Br)cccc21.
What is the InChIKey of 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is QVFKUFOJHDUTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-8(2)6-17-11(19)7-18-10-5-3-4-9(15)12(10)13(16)14(18)20/h3-5,8,13H,6-7,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide?
2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 340.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromo-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43255232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).