(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one

C18H18BrNO2 — CID 174483543

IUPAC(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](c2ccc(Br)cc2)N1C(CO)c1ccccc1
InChIInChI=1S/C18H18BrNO2/c19-15-8-6-14(7-9-15)16-10-11-18(22)20(16)17(12-21)13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2/t16-,17?/m1/s1
InChIKeyPEDVSTDPGXZEQO-TZHYSIJRSA-N
MW360.25 g/mol
LogP3.85
Rot. Bonds4

About (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one

(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one (PubChem CID 174483543) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
PubChem CID174483543
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](c2ccc(Br)cc2)N1C(CO)c1ccccc1
InChIInChI=1S/C18H18BrNO2/c19-15-8-6-14(7-9-15)16-10-11-18(22)20(16)17(12-21)13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2/t16-,17?/m1/s1
InChIKeyPEDVSTDPGXZEQO-TZHYSIJRSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one
CID 68928206
(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one
CID 53349746
(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one
CID 146633652
(3R,7aR)-7a-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 53349747
(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
CID 11357004
(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
CID 11276994
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
5-(4-bromophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidine-2-carbaldehyde
CID 175388489
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
methyl (2R,3S)-2-(benzylcarbamoyl)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-oxopiperidine-3-carboxylate
CID 71567821
(5S,6S)-5-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-6-(1H-indol-3-yl)piperidin-2-one
CID 102254926

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one (CID 174483543) is (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one is O=C1CC[C@H](c2ccc(Br)cc2)N1C(CO)c1ccccc1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one?
The InChIKey is PEDVSTDPGXZEQO-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H18BrNO2/c19-15-8-6-14(7-9-15)16-10-11-18(22)20(16)17(12-21)13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2/t16-,17?/m1/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one?
(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one has a molecular weight of 360.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 174483543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).