1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

C21H21FN2O2 — CID 51338954

IUPAC1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O2/c22-17-9-5-15(6-10-17)19-3-1-14-24(19)21(26)16-7-11-18(12-8-16)23-13-2-4-20(23)25/h5-12,19H,1-4,13-14H2
InChIKeyNDPJSDBOYZJBTA-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.93
Rot. Bonds3

About 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 51338954) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID51338954
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O2/c22-17-9-5-15(6-10-17)19-3-1-14-24(19)21(26)16-7-11-18(12-8-16)23-13-2-4-20(23)25/h5-12,19H,1-4,13-14H2
InChIKeyNDPJSDBOYZJBTA-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]piperidin-2-one
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[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 51338954) is 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(C(=O)N2CCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is NDPJSDBOYZJBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-17-9-5-15(6-10-17)19-3-1-14-24(19)21(26)16-7-11-18(12-8-16)23-13-2-4-20(23)25/h5-12,19H,1-4,13-14H2.
What are the key properties of 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 352.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 51338954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).