(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C19H19F2NO — CID 59741145

IUPAC(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@H](Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C19H19F2NO/c1-13(14-6-3-2-4-7-14)22-11-10-15(19(22)23)12-16-17(20)8-5-9-18(16)21/h2-9,13,15H,10-12H2,1H3/t13-,15+/m0/s1
InChIKeyCQGTTWQEDHZPSU-DZGCQCFKSA-N
MW315.36 g/mol
LogP4.12
Rot. Bonds4

About (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 59741145) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID59741145
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@H](Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C19H19F2NO/c1-13(14-6-3-2-4-7-14)22-11-10-15(19(22)23)12-16-17(20)8-5-9-18(16)21/h2-9,13,15H,10-12H2,1H3/t13-,15+/m0/s1
InChIKeyCQGTTWQEDHZPSU-DZGCQCFKSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 59741145) is (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C[C@@H](c1ccccc1)N1CC[C@H](Cc2c(F)cccc2F)C1=O.
What is the InChIKey of (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is CQGTTWQEDHZPSU-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H19F2NO/c1-13(14-6-3-2-4-7-14)22-11-10-15(19(22)23)12-16-17(20)8-5-9-18(16)21/h2-9,13,15H,10-12H2,1H3/t13-,15+/m0/s1.
What are the key properties of (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 315.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 59741145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).