N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H26FN3O2 — CID 51251239

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1
InChIInChI=1S/C22H26FN3O2/c1-25(2)20(17-5-3-6-18(23)14-17)15-24-21(27)13-16-8-10-19(11-9-16)26-12-4-7-22(26)28/h3,5-6,8-11,14,20H,4,7,12-13,15H2,1-2H3,(H,24,27)
InChIKeyQJMSPKWIAGLZAI-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 51251239) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID51251239
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1
InChIInChI=1S/C22H26FN3O2/c1-25(2)20(17-5-3-6-18(23)14-17)15-24-21(27)13-16-8-10-19(11-9-16)26-12-4-7-22(26)28/h3,5-6,8-11,14,20H,4,7,12-13,15H2,1-2H3,(H,24,27)
InChIKeyQJMSPKWIAGLZAI-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 34964617
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413630
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
N-[2-[[N-ethyl-N'-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111412497
(3R)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39958266
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 51926830
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 51251239) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CN(C)C(CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is QJMSPKWIAGLZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-25(2)20(17-5-3-6-18(23)14-17)15-24-21(27)13-16-8-10-19(11-9-16)26-12-4-7-22(26)28/h3,5-6,8-11,14,20H,4,7,12-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 51251239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).