N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C22H24FN3O2 — CID 55360345

IUPACN-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H24FN3O2/c23-19-8-4-5-9-20(19)26-14-17(12-21(26)27)22(28)24-18-10-11-25(15-18)13-16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,24,28)
InChIKeyBBUNWZBXNZTKES-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.57
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55360345) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55360345
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C22H24FN3O2/c23-19-8-4-5-9-20(19)26-14-17(12-21(26)27)22(28)24-18-10-11-25(15-18)13-16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,24,28)
InChIKeyBBUNWZBXNZTKES-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49074173
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 39710585
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95136177
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94015320
1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 46589177
N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 55360345) is N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BBUNWZBXNZTKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-19-8-4-5-9-20(19)26-14-17(12-21(26)27)22(28)24-18-10-11-25(15-18)13-16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,24,28).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55360345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).