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N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26FN3O2 — CID 55949729

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(c3ccc(F)cc3)N(C)C)CC2=O)cc1
InChIInChI=1S/C22H26FN3O2/c1-15-4-10-19(11-5-15)26-14-17(12-21(26)27)22(28)24-13-20(25(2)3)16-6-8-18(23)9-7-16/h4-11,17,20H,12-14H2,1-3H3,(H,24,28)
InChIKeyWNRGURPUFKWZLO-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55949729) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55949729
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(c3ccc(F)cc3)N(C)C)CC2=O)cc1
InChIInChI=1S/C22H26FN3O2/c1-15-4-10-19(11-5-15)26-14-17(12-21(26)27)22(28)24-13-20(25(2)3)16-6-8-18(23)9-7-16/h4-11,17,20H,12-14H2,1-3H3,(H,24,28)
InChIKeyWNRGURPUFKWZLO-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55949729) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCC(c3ccc(F)cc3)N(C)C)CC2=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WNRGURPUFKWZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15-4-10-19(11-5-15)26-14-17(12-21(26)27)22(28)24-13-20(25(2)3)16-6-8-18(23)9-7-16/h4-11,17,20H,12-14H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55949729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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