1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one

C17H17BrN2O2 — CID 122515859

IUPAC1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cccc(NC2CCN(c3ccc(Br)cc3)C2=O)c1
InChIInChI=1S/C17H17BrN2O2/c1-22-15-4-2-3-13(11-15)19-16-9-10-20(17(16)21)14-7-5-12(18)6-8-14/h2-8,11,16,19H,9-10H2,1H3
InChIKeyOEEBYINSOOWLHS-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one

1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one (PubChem CID 122515859) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
PubChem CID122515859
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cccc(NC2CCN(c3ccc(Br)cc3)C2=O)c1
InChIInChI=1S/C17H17BrN2O2/c1-22-15-4-2-3-13(11-15)19-16-9-10-20(17(16)21)14-7-5-12(18)6-8-14/h2-8,11,16,19H,9-10H2,1H3
InChIKeyOEEBYINSOOWLHS-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[3-(difluoromethoxy)anilino]pyrrolidin-2-one;3-[3-(difluoromethoxy)anilino]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158464792
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515789
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
3-[3-(difluoromethoxy)anilino]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one
CID 145438875
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
1-(4-bromophenyl)-3-[(6-fluoro-2-pyridinyl)amino]pyrrolidin-2-one
CID 139544136
4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827237
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
CID 138567201
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
CID 95255148
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one (CID 122515859) is 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one is COc1cccc(NC2CCN(c3ccc(Br)cc3)C2=O)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one?
The InChIKey is OEEBYINSOOWLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-22-15-4-2-3-13(11-15)19-16-9-10-20(17(16)21)14-7-5-12(18)6-8-14/h2-8,11,16,19H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one?
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one has a molecular weight of 361.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one is sourced from PubChem (CID 122515859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).