N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H23FN2O2 — CID 113183425

IUPACN-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H23FN2O2/c1-2-23(13-16-8-4-3-5-9-16)21(26)18-12-20(25)24(15-18)14-17-10-6-7-11-19(17)22/h3-11,18H,2,12-15H2,1H3
InChIKeyCSPSHBAYIQKKGJ-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.22
Rot. Bonds6

About N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113183425) has the molecular formula C21H23FN2O2 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113183425
Molecular FormulaC21H23FN2O2
Molecular Weight354.42 g/mol
Exact Mass354.17
IUPAC NameN-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H23FN2O2/c1-2-23(13-16-8-4-3-5-9-16)21(26)18-12-20(25)24(15-18)14-17-10-6-7-11-19(17)22/h3-11,18H,2,12-15H2,1H3
InChIKeyCSPSHBAYIQKKGJ-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86925371
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899
1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192525
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113183425) is N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CSPSHBAYIQKKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-23(13-16-8-4-3-5-9-16)21(26)18-12-20(25)24(15-18)14-17-10-6-7-11-19(17)22/h3-11,18H,2,12-15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113183425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).