(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C20H21FN2O2 — CID 2604219

IUPAC(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c1-14-7-8-17(21)12-18(14)22-20(25)16-11-19(24)23(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyWRYYAWZDUSUPKL-INIZCTEOSA-N
MW340.40 g/mol
LogP3.16
Rot. Bonds5

About (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 2604219) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID2604219
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c1-14-7-8-17(21)12-18(14)22-20(25)16-11-19(24)23(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyWRYYAWZDUSUPKL-INIZCTEOSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337070
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
(3R)-N-(4-bromo-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51548209
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
(3S)-N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51878899
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43034361
(3R)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40974935

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 2604219) is (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WRYYAWZDUSUPKL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-7-8-17(21)12-18(14)22-20(25)16-11-19(24)23(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2604219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).