[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate

C18H16F2N2O4 — CID 118570607

IUPAC[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate
SMILESO=C(NCc1cc(F)cc(F)c1)O[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H16F2N2O4/c19-13-8-12(9-14(20)10-13)11-21-17(24)26-18(25)6-7-22(16(18)23)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,24)/t18-/m0/s1
InChIKeyRIIJDAOKVCMAGZ-SFHVURJKSA-N
MW362.33 g/mol
LogP2.32
Rot. Bonds4

About [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate

[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate (PubChem CID 118570607) has the molecular formula C18H16F2N2O4 and a molecular weight of 362.33 g/mol. Its IUPAC name is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate
PubChem CID118570607
Molecular FormulaC18H16F2N2O4
Molecular Weight362.33 g/mol
Exact Mass362.11
IUPAC Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate
SMILESO=C(NCc1cc(F)cc(F)c1)O[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H16F2N2O4/c19-13-8-12(9-14(20)10-13)11-21-17(24)26-18(25)6-7-22(16(18)23)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,24)/t18-/m0/s1
InChIKeyRIIJDAOKVCMAGZ-SFHVURJKSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-4-fluorophenyl)methyl]carbamate
CID 118570492
[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 118570590
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[[3-(difluoromethoxy)phenyl]methyl]carbamate
CID 118570533
[(3S)-1-(4-fluorophenyl)-3-hydroxy-2-oxopyrrolidin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
CID 118570495
[(3S)-1-(4-fluorophenyl)-3-hydroxy-2-oxopyrrolidin-3-yl] N-[(3-bromophenyl)methyl]carbamate
CID 118570309
[(3S)-3-hydroxy-1-(2-methylphenyl)-2-oxopyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 118570606
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(4-methylthiophen-2-yl)methyl]carbamate
CID 118570386
[(3R)-3-hydroxy-1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-oxopyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 121346982
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(3-chloro-2-fluorophenyl)ethyl]carbamate
CID 118570422
[(3S)-1-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-hydroxy-2-oxopyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 121347040
[(3S)-3-hydroxy-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] N-[2-(3-chloro-5-fluorophenyl)ethyl]carbamate
CID 118570573
[(3S)-1-(3-chlorophenyl)-3-hydroxy-2-oxopyrrolidin-3-yl] N-[(3-chloro-2-fluorophenyl)methyl]carbamate
CID 118570431

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate?
The IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate (CID 118570607) is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate.
What is the SMILES notation for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate?
The canonical SMILES for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate is O=C(NCc1cc(F)cc(F)c1)O[C@@]1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate?
The InChIKey is RIIJDAOKVCMAGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16F2N2O4/c19-13-8-12(9-14(20)10-13)11-21-17(24)26-18(25)6-7-22(16(18)23)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,24)/t18-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate?
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate has a molecular weight of 362.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate is sourced from PubChem (CID 118570607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).