N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H21FN2O3 — CID 113183470

IUPACN-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)cc1
InChIInChI=1S/C20H21FN2O3/c1-2-26-17-9-7-16(8-10-17)22-20(25)15-11-19(24)23(13-15)12-14-5-3-4-6-18(14)21/h3-10,15H,2,11-13H2,1H3,(H,22,25)
InChIKeyFPVKBRCKARZCHL-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.21
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113183470) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113183470
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)cc1
InChIInChI=1S/C20H21FN2O3/c1-2-26-17-9-7-16(8-10-17)22-20(25)15-11-19(24)23(13-15)12-14-5-3-4-6-18(14)21/h3-10,15H,2,11-13H2,1H3,(H,22,25)
InChIKeyFPVKBRCKARZCHL-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183459
1-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183756
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
N-(1,3-benzodioxol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183494
(3S)-1-benzyl-N-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523040
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183484
N-(2-bromophenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183492
N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113183470) is N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccccc3F)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FPVKBRCKARZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-17-9-7-16(8-10-17)22-20(25)15-11-19(24)23(13-15)12-14-5-3-4-6-18(14)21/h3-10,15H,2,11-13H2,1H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113183470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).