(3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone

C20H19BrN2O — CID 55790958

IUPAC(3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCn1c(C(=O)N2CCCC2c2ccccc2)c(Br)c2ccccc21
InChIInChI=1S/C20H19BrN2O/c1-22-17-11-6-5-10-15(17)18(21)19(22)20(24)23-13-7-12-16(23)14-8-3-2-4-9-14/h2-6,8-11,16H,7,12-13H2,1H3
InChIKeyVYUYQPMVACWYPP-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.92
Rot. Bonds2

About (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone

(3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 55790958) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID55790958
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name(3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCn1c(C(=O)N2CCCC2c2ccccc2)c(Br)c2ccccc21
InChIInChI=1S/C20H19BrN2O/c1-22-17-11-6-5-10-15(17)18(21)19(22)20(24)23-13-7-12-16(23)14-8-3-2-4-9-14/h2-6,8-11,16H,7,12-13H2,1H3
InChIKeyVYUYQPMVACWYPP-UHFFFAOYSA-N
XLogP4.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
1-[4-(3-bromo-1-methylindole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 47923606
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 56560397
(4,5-dibromothiophen-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42932859
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
(2-bromo-6-fluorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 114559410
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
CID 75459961
3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 46435453
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 55790958) is (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone is Cn1c(C(=O)N2CCCC2c2ccccc2)c(Br)c2ccccc21.
What is the InChIKey of (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is VYUYQPMVACWYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-22-17-11-6-5-10-15(17)18(21)19(22)20(24)23-13-7-12-16(23)14-8-3-2-4-9-14/h2-6,8-11,16H,7,12-13H2,1H3.
What are the key properties of (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 383.29 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylindol-2-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55790958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).