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

C18H17ClFNO — CID 146633652

IUPAC(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2ccc(F)cc2)N1[C@@H](CCl)c1ccccc1
InChIInChI=1S/C18H17ClFNO/c19-12-17(13-4-2-1-3-5-13)21-16(10-11-18(21)22)14-6-8-15(20)9-7-14/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyFAAYKBVWWMPBMB-IRXDYDNUSA-N
MW317.79 g/mol
LogP4.47
Rot. Bonds4

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

(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 146633652) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID146633652
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2ccc(F)cc2)N1[C@@H](CCl)c1ccccc1
InChIInChI=1S/C18H17ClFNO/c19-12-17(13-4-2-1-3-5-13)21-16(10-11-18(21)22)14-6-8-15(20)9-7-14/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyFAAYKBVWWMPBMB-IRXDYDNUSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.47
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 (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one (CID 146633652) is (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC[C@@H](c2ccc(F)cc2)N1[C@@H](CCl)c1ccccc1.
What is the InChIKey of (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is FAAYKBVWWMPBMB-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-12-17(13-4-2-1-3-5-13)21-16(10-11-18(21)22)14-6-8-15(20)9-7-14/h1-9,16-17H,10-12H2/t16-,17-/m0/s1.
What are the key properties of (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one?
(5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 317.79 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(1R)-2-chloro-1-phenylethyl]-5-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 146633652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).