(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone

C17H23BrN2O — CID 174895884

IUPAC(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone
SMILESCC(C)CN1CCC[C@H]1C(=O)N1CCc2c(Br)cccc21
InChIInChI=1S/C17H23BrN2O/c1-12(2)11-19-9-4-7-16(19)17(21)20-10-8-13-14(18)5-3-6-15(13)20/h3,5-6,12,16H,4,7-11H2,1-2H3/t16-/m0/s1
InChIKeyIYYFNJGRLHYKKW-INIZCTEOSA-N
MW351.29 g/mol
LogP3.46
Rot. Bonds3

About (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone

(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone (PubChem CID 174895884) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone
PubChem CID174895884
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone
SMILESCC(C)CN1CCC[C@H]1C(=O)N1CCc2c(Br)cccc21
InChIInChI=1S/C17H23BrN2O/c1-12(2)11-19-9-4-7-16(19)17(21)20-10-8-13-14(18)5-3-6-15(13)20/h3,5-6,12,16H,4,7-11H2,1-2H3/t16-/m0/s1
InChIKeyIYYFNJGRLHYKKW-INIZCTEOSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 97079067
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid
CID 138051548
(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile
CID 140885139
(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cyclopent-3-en-1-ylmethanone
CID 75454585
[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 174921139
2-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 91647973
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110626434
3-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanoic acid
CID 156507049
1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 87023568
2-[4-(2-aminopyrimidin-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
CID 175219682

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone (CID 174895884) is (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone is CC(C)CN1CCC[C@H]1C(=O)N1CCc2c(Br)cccc21.
What is the InChIKey of (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone?
The InChIKey is IYYFNJGRLHYKKW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12(2)11-19-9-4-7-16(19)17(21)20-10-8-13-14(18)5-3-6-15(13)20/h3,5-6,12,16H,4,7-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone?
(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone has a molecular weight of 351.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 174895884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).