2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone

C21H21BrN2O — CID 113088481

IUPAC2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3ccccc3Br)C2)cc2ccccc21
InChIInChI=1S/C21H21BrN2O/c1-23-19-9-5-3-7-16(19)12-20(23)17-10-11-24(14-17)21(25)13-15-6-2-4-8-18(15)22/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyNXYAPQZRYWMZBM-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.50
Rot. Bonds3

About 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone

2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 113088481) has the molecular formula C21H21BrN2O and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID113088481
Molecular FormulaC21H21BrN2O
Molecular Weight397.32 g/mol
Exact Mass396.08
IUPAC Name2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3ccccc3Br)C2)cc2ccccc21
InChIInChI=1S/C21H21BrN2O/c1-23-19-9-5-3-7-16(19)12-20(23)17-10-11-24(14-17)21(25)13-15-6-2-4-8-18(15)22/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyNXYAPQZRYWMZBM-UHFFFAOYSA-N
XLogP4.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 97181730
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone (CID 113088481) is 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone is Cn1c(C2CCN(C(=O)Cc3ccccc3Br)C2)cc2ccccc21.
What is the InChIKey of 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NXYAPQZRYWMZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O/c1-23-19-9-5-3-7-16(19)12-20(23)17-10-11-24(14-17)21(25)13-15-6-2-4-8-18(15)22/h2-9,12,17H,10-11,13-14H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone?
2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 397.32 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 113088481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).