2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide

C12H14BrN3O2 — CID 43310910

IUPAC2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C12H14BrN3O2/c1-16(2)10(17)6-14-11-8-5-7(13)3-4-9(8)15-12(11)18/h3-5,11,14H,6H2,1-2H3,(H,15,18)
InChIKeyNTBAFTHLIYTFBT-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.12
Rot. Bonds3

About 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide

2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide (PubChem CID 43310910) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
PubChem CID43310910
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C12H14BrN3O2/c1-16(2)10(17)6-14-11-8-5-7(13)3-4-9(8)15-12(11)18/h3-5,11,14H,6H2,1-2H3,(H,15,18)
InChIKeyNTBAFTHLIYTFBT-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
CID 43310852
N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide
CID 43202942
5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
CID 43189550
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475
5-bromo-3-(1-methoxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43191810
5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204711
5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 43203362
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124419

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide (CID 43310910) is 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
The InChIKey is NTBAFTHLIYTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-16(2)10(17)6-14-11-8-5-7(13)3-4-9(8)15-12(11)18/h3-5,11,14H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide?
2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide has a molecular weight of 312.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).