(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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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).