2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide

C14H18BrN3O2 — CID 43255085

IUPAC2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)C(N)c2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3O2/c1-14(2,3)17-11(19)7-18-10-5-4-8(15)6-9(10)12(16)13(18)20/h4-6,12H,7,16H2,1-3H3,(H,17,19)
InChIKeyHOGOIFZGDARNHP-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.71
Rot. Bonds2

About 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide

2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide (PubChem CID 43255085) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
PubChem CID43255085
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)C(N)c2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3O2/c1-14(2,3)17-11(19)7-18-10-5-4-8(15)6-9(10)12(16)13(18)20/h4-6,12H,7,16H2,1-3H3,(H,17,19)
InChIKeyHOGOIFZGDARNHP-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
CID 43255081
3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255083
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-tert-butylacetamide
CID 86978677
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255070
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255271
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761
3-amino-6-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255301
2-[(3S,5R)-3-bromo-8-methyl-2-oxo-5-propan-2-yl-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butylacetamide
CID 10454175

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide (CID 43255085) is 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1C(=O)C(N)c2cc(Br)ccc21.
What is the InChIKey of 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide?
The InChIKey is HOGOIFZGDARNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-14(2,3)17-11(19)7-18-10-5-4-8(15)6-9(10)12(16)13(18)20/h4-6,12H,7,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide?
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide has a molecular weight of 340.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 43255085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).