N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide

C13H15BrN2O2 — CID 115194235

IUPACN-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
SMILESCC(C)(CNC(=O)Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15BrN2O2/c1-13(2,7-15-12(14)18)9-3-4-10-8(5-9)6-11(17)16-10/h3-5H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVREXEMQQNNOQSU-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.56
Rot. Bonds3

About N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide

N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide (PubChem CID 115194235) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
PubChem CID115194235
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
SMILESCC(C)(CNC(=O)Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15BrN2O2/c1-13(2,7-15-12(14)18)9-3-4-10-8(5-9)6-11(17)16-10/h3-5H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVREXEMQQNNOQSU-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103711840
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide?
The IUPAC name of N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide (CID 115194235) is N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide.
What is the SMILES notation for N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide?
The canonical SMILES for N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide is CC(C)(CNC(=O)Br)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide?
The InChIKey is VREXEMQQNNOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-13(2,7-15-12(14)18)9-3-4-10-8(5-9)6-11(17)16-10/h3-5H,6-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide?
N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide has a molecular weight of 311.18 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide is sourced from PubChem (CID 115194235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).