methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate

C24H25BrN2O4 — CID 166332229

IUPACmethyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)c2ccc(Br)cc21
InChIInChI=1S/C24H25BrN2O4/c1-15(16-6-4-3-5-7-16)26-14-18(10-22(26)28)24(30)27-13-17(11-23(29)31-2)20-12-19(25)8-9-21(20)27/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3
InChIKeyOOPPCQKGLAVIAG-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.05
Rot. Bonds5

About methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate

methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate (PubChem CID 166332229) has the molecular formula C24H25BrN2O4 and a molecular weight of 485.38 g/mol. Its IUPAC name is methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate
PubChem CID166332229
Molecular FormulaC24H25BrN2O4
Molecular Weight485.38 g/mol
Exact Mass484.10
IUPAC Namemethyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)c2ccc(Br)cc21
InChIInChI=1S/C24H25BrN2O4/c1-15(16-6-4-3-5-7-16)26-14-18(10-22(26)28)24(30)27-13-17(11-23(29)31-2)20-12-19(25)8-9-21(20)27/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3
InChIKeyOOPPCQKGLAVIAG-UHFFFAOYSA-N
XLogP4.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate with MolForge

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Related Compounds

methyl 1-[1-(3-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692611
ethyl 3-oxo-3-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanoate
CID 10357607
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1260369
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
methyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564816
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119434412
(4-methoxycarbonylphenyl) (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 8572101
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate (CID 166332229) is methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)c2ccc(Br)cc21.
What is the InChIKey of methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate?
The InChIKey is OOPPCQKGLAVIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4/c1-15(16-6-4-3-5-7-16)26-14-18(10-22(26)28)24(30)27-13-17(11-23(29)31-2)20-12-19(25)8-9-21(20)27/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3.
What are the key properties of methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate?
methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate has a molecular weight of 485.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-bromo-1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 166332229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).