(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C17H21FN2O3 — CID 129402235

IUPAC(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H21FN2O3/c1-20-14(6-7-15(20)21)16(22)19-17(8-10-23-11-9-17)12-2-4-13(18)5-3-12/h2-5,14H,6-11H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyGFRPOSCRVLGKSS-CQSZACIVSA-N
MW320.36 g/mol
LogP1.57
Rot. Bonds3

About (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 129402235) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID129402235
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H21FN2O3/c1-20-14(6-7-15(20)21)16(22)19-17(8-10-23-11-9-17)12-2-4-13(18)5-3-12/h2-5,14H,6-11H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyGFRPOSCRVLGKSS-CQSZACIVSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-fluorobenzyl)-5-keto-1-phenethyl-pyrrolidine-2-carboxamide
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1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
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(2S)-N-[(2,3-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
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1-[(4-fluorophenyl)methyl]-N-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 4145042
(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 75411478
N-{2-[benzyl(isopropyl)amino]ethyl}-1-(4-fluorobenzyl)-5-oxoprolinamide
CID 3237684
N-[2-[(3-ethoxypropyl)amino]-1-(4-methylphenyl)-2-oxoethyl]-5-oxoprolinamide
CID 3245254
1-(4-methylbenzyl)-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
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N-(3-ethoxypropyl)-5-oxo-1-(2-phenylethyl)prolinamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 129402235) is (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CC[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GFRPOSCRVLGKSS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-20-14(6-7-15(20)21)16(22)19-17(8-10-23-11-9-17)12-2-4-13(18)5-3-12/h2-5,14H,6-11H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 129402235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).