(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide

C19H19FN2O2 — CID 95234220

IUPAC(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)c2ccccc2)N1
InChIInChI=1S/C19H19FN2O2/c20-15-8-6-13(7-9-15)12-17(14-4-2-1-3-5-14)22-19(24)16-10-11-18(23)21-16/h1-9,16-17H,10-12H2,(H,21,23)(H,22,24)/t16-,17+/m0/s1
InChIKeyRZPNOEBWHXKGOU-DLBZAZTESA-N
MW326.37 g/mol
LogP2.50
Rot. Bonds5

About (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95234220) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95234220
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)c2ccccc2)N1
InChIInChI=1S/C19H19FN2O2/c20-15-8-6-13(7-9-15)12-17(14-4-2-1-3-5-14)22-19(24)16-10-11-18(23)21-16/h1-9,16-17H,10-12H2,(H,21,23)(H,22,24)/t16-,17+/m0/s1
InChIKeyRZPNOEBWHXKGOU-DLBZAZTESA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95318346
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312
(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide
CID 95231724
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
5-oxo-N-[1-oxo-3-phenyl-1-(pyrrolidine-2-carbonylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 69292399
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide (CID 95234220) is (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)c2ccccc2)N1.
What is the InChIKey of (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RZPNOEBWHXKGOU-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-8-6-13(7-9-15)12-17(14-4-2-1-3-5-14)22-19(24)16-10-11-18(23)21-16/h1-9,16-17H,10-12H2,(H,21,23)(H,22,24)/t16-,17+/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95234220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).