[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate

C18H15ClF2N2O3 — CID 118570590

IUPAC[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1cc(F)cc(Cl)c1)O[C@@]1(F)CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H15ClF2N2O3/c19-13-8-12(9-14(20)10-13)11-22-17(25)26-18(21)6-7-23(16(18)24)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11H2,(H,22,25)/t18-/m0/s1
InChIKeyINIRKVHPTWPTPF-SFHVURJKSA-N
MW380.78 g/mol
LogP3.81
Rot. Bonds4

About [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate

[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate (PubChem CID 118570590) has the molecular formula C18H15ClF2N2O3 and a molecular weight of 380.78 g/mol. Its IUPAC name is [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
PubChem CID118570590
Molecular FormulaC18H15ClF2N2O3
Molecular Weight380.78 g/mol
Exact Mass380.07
IUPAC Name[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1cc(F)cc(Cl)c1)O[C@@]1(F)CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H15ClF2N2O3/c19-13-8-12(9-14(20)10-13)11-22-17(25)26-18(21)6-7-23(16(18)24)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11H2,(H,22,25)/t18-/m0/s1
InChIKeyINIRKVHPTWPTPF-SFHVURJKSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3,5-difluorophenyl)methyl]carbamate
CID 118570607
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
CID 71745053
[(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-[(3-chloro-4-fluorophenyl)methyl]carbamate
CID 118570492
[(3R)-3-hydroxy-1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-oxopyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 121346982
[(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)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 118884373
[3-hydroxy-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxopyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 118570612
[3-hydroxy-1-(1-methylsulfonylindol-5-yl)-2-oxopyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 118570376
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[[3-(difluoromethoxy)phenyl]methyl]carbamate
CID 118570533
(3R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(3,3-difluoro-2-oxo-1H-indol-5-yl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 71815256

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
The IUPAC name of [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate (CID 118570590) is [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate.
What is the SMILES notation for [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
The canonical SMILES for [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate is O=C(NCc1cc(F)cc(Cl)c1)O[C@@]1(F)CCN(c2ccccc2)C1=O.
What is the InChIKey of [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
The InChIKey is INIRKVHPTWPTPF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15ClF2N2O3/c19-13-8-12(9-14(20)10-13)11-22-17(25)26-18(21)6-7-23(16(18)24)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11H2,(H,22,25)/t18-/m0/s1.
What are the key properties of [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate?
[(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate has a molecular weight of 380.78 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoro-2-oxo-1-phenylpyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 118570590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).