3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one

C19H16BrF2NO2 — CID 155543903

IUPAC3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one
SMILESCC1(c2ccc(Br)cc2)CCN(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H16BrF2NO2/c1-19(12-2-4-13(20)5-3-12)8-9-23(18(19)25)11-17(24)15-7-6-14(21)10-16(15)22/h2-7,10H,8-9,11H2,1H3
InChIKeyLNAVWIPLRWUOBP-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one

3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one (PubChem CID 155543903) has the molecular formula C19H16BrF2NO2 and a molecular weight of 408.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one
PubChem CID155543903
Molecular FormulaC19H16BrF2NO2
Molecular Weight408.24 g/mol
Exact Mass407.03
IUPAC Name3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one
SMILESCC1(c2ccc(Br)cc2)CCN(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H16BrF2NO2/c1-19(12-2-4-13(20)5-3-12)8-9-23(18(19)25)11-17(24)15-7-6-14(21)10-16(15)22/h2-7,10H,8-9,11H2,1H3
InChIKeyLNAVWIPLRWUOBP-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-(4-Bromobenzoyl)piperidin-4-yl)(4-fluorophenyl)methanone
CID 46906252
3-(4-Bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 155535755
1-(4-Bromophenyl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 72014161
(4E)-2-(4-bromobenzoyl)-N-tert-butyl-4-[(4-fluorophenyl)methylidene]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 162658210
1-(4-Bromophenyl)-5,5,5-trifluoro-2-(2-oxopyrrolidin-1-yl)pentane-1,4-dione
CID 135033226
4-(4-Bromophenyl)-N,N-dibutyl-2,4-dioxobutanamide
CID 360359
2-[2-(4-Fluorophenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
CID 8186808
1-Acetyl-4-(4-bromo-2-fluorobenzoyl)piperidine
CID 14032496
6-[2-(4-Bromo-2-fluorophenyl)-2-fluoropropanoyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 24878463
1-Acetyl-5-(4-bromophenyl)-3-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-one
CID 58915271
[(2S)-1-(4-bromophenyl)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-ethylcarbamic acid
CID 68725014
1-(4-Bromo-2-fluorophenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethanone
CID 69417312

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one (CID 155543903) is 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one is CC1(c2ccc(Br)cc2)CCN(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
The InChIKey is LNAVWIPLRWUOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2NO2/c1-19(12-2-4-13(20)5-3-12)8-9-23(18(19)25)11-17(24)15-7-6-14(21)10-16(15)22/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one has a molecular weight of 408.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 155543903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).