2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide

C12H14BrN3O2 — CID 43255081

IUPAC2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)C(N)c2cc(Br)ccc21
InChIInChI=1S/C12H14BrN3O2/c1-15(2)10(17)6-16-9-4-3-7(13)5-8(9)11(14)12(16)18/h3-5,11H,6,14H2,1-2H3
InChIKeyNDORUQGJQLXYPC-UHFFFAOYSA-N
MW312.17 g/mol
LogP0.88
Rot. Bonds2

About 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide

2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide (PubChem CID 43255081) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
PubChem CID43255081
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)C(N)c2cc(Br)ccc21
InChIInChI=1S/C12H14BrN3O2/c1-15(2)10(17)6-16-9-4-3-7(13)5-8(9)11(14)12(16)18/h3-5,11H,6,14H2,1-2H3
InChIKeyNDORUQGJQLXYPC-UHFFFAOYSA-N
XLogP0.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
CID 43255085
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255271
3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255083
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43254745
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-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43255280
3-amino-6-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255301
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255125
2-[(1S)-5-bromo-1-methyl-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 125486013
2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
CID 68898482
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide (CID 43255081) is 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide is CN(C)C(=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,N-dimethylacetamide?
The InChIKey is NDORUQGJQLXYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-15(2)10(17)6-16-9-4-3-7(13)5-8(9)11(14)12(16)18/h3-5,11H,6,14H2,1-2H3.
What are the key properties of 2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide?
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide has a molecular weight of 312.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 43255081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).