(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one

C18H17BrClNO — CID 68928206

IUPAC(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2ccc(Br)cc2)N1[C@H](CCl)c1ccccc1
InChIInChI=1S/C18H17BrClNO/c19-15-8-6-14(7-9-15)16-10-11-18(22)21(16)17(12-20)13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m1/s1
InChIKeyYKEIJCCJFSFYMT-IAGOWNOFSA-N
MW378.70 g/mol
LogP5.09
Rot. Bonds4

About (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one

(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one (PubChem CID 68928206) has the molecular formula C18H17BrClNO and a molecular weight of 378.70 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one
PubChem CID68928206
Molecular FormulaC18H17BrClNO
Molecular Weight378.70 g/mol
Exact Mass377.02
IUPAC Name(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2ccc(Br)cc2)N1[C@H](CCl)c1ccccc1
InChIInChI=1S/C18H17BrClNO/c19-15-8-6-14(7-9-15)16-10-11-18(22)21(16)17(12-20)13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m1/s1
InChIKeyYKEIJCCJFSFYMT-IAGOWNOFSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.70
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
CID 174483543
(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one
CID 146633652
(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
(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
5-(4-bromophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidine-2-carbaldehyde
CID 175388489
(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
CID 11357004
4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
CID 11276994
(5S)-2-oxo-5-phenyl-N-[(1S)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 13293397
(5S)-1-(2-bromopropanoyl)-5-phenylpyrrolidin-2-one
CID 11289447
1-(aminomethyl)-5-phenylpyrrolidin-2-one
CID 23348574
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one (CID 68928206) is (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one is O=C1CC[C@H](c2ccc(Br)cc2)N1[C@H](CCl)c1ccccc1.
What is the InChIKey of (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is YKEIJCCJFSFYMT-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H17BrClNO/c19-15-8-6-14(7-9-15)16-10-11-18(22)21(16)17(12-20)13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m1/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one?
(5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 378.70 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-1-[(1S)-2-chloro-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 68928206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).