(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C19H20ClNO — CID 59741173

IUPAC(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@H](Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H20ClNO/c1-14(16-7-3-2-4-8-16)21-11-10-17(19(21)22)12-15-6-5-9-18(20)13-15/h2-9,13-14,17H,10-12H2,1H3/t14-,17+/m0/s1
InChIKeyUPJXAOPSAUDZHA-WMLDXEAASA-N
MW313.83 g/mol
LogP4.49
Rot. Bonds4

About (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 59741173) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID59741173
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@H](Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H20ClNO/c1-14(16-7-3-2-4-8-16)21-11-10-17(19(21)22)12-15-6-5-9-18(20)13-15/h2-9,13-14,17H,10-12H2,1H3/t14-,17+/m0/s1
InChIKeyUPJXAOPSAUDZHA-WMLDXEAASA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 59741173) is (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C[C@@H](c1ccccc1)N1CC[C@H](Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is UPJXAOPSAUDZHA-WMLDXEAASA-N. The full InChI is InChI=1S/C19H20ClNO/c1-14(16-7-3-2-4-8-16)21-11-10-17(19(21)22)12-15-6-5-9-18(20)13-15/h2-9,13-14,17H,10-12H2,1H3/t14-,17+/m0/s1.
What are the key properties of (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 313.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 59741173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).