4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

C23H25FN2O4 — CID 46957915

IUPAC4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)C2CC(=O)N(c3cccc(F)c3)C2)c(OC)c1
InChIInChI=1S/C23H25FN2O4/c1-29-18-8-9-19(21(13-18)30-2)20-7-4-10-25(20)23(28)15-11-22(27)26(14-15)17-6-3-5-16(24)12-17/h3,5-6,8-9,12-13,15,20H,4,7,10-11,14H2,1-2H3
InChIKeyQFLAFMPHNJCPOZ-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.56
Rot. Bonds5

About 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 46957915) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID46957915
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)C2CC(=O)N(c3cccc(F)c3)C2)c(OC)c1
InChIInChI=1S/C23H25FN2O4/c1-29-18-8-9-19(21(13-18)30-2)20-7-4-10-25(20)23(28)15-11-22(27)26(14-15)17-6-3-5-16(24)12-17/h3,5-6,8-9,12-13,15,20H,4,7,10-11,14H2,1-2H3
InChIKeyQFLAFMPHNJCPOZ-UHFFFAOYSA-N
XLogP3.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957927
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 92597743
(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92594763
(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94097508
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55543629
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 43048071
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90564590

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (CID 46957915) is 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is COc1ccc(C2CCCN2C(=O)C2CC(=O)N(c3cccc(F)c3)C2)c(OC)c1.
What is the InChIKey of 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is QFLAFMPHNJCPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-29-18-8-9-19(21(13-18)30-2)20-7-4-10-25(20)23(28)15-11-22(27)26(14-15)17-6-3-5-16(24)12-17/h3,5-6,8-9,12-13,15,20H,4,7,10-11,14H2,1-2H3.
What are the key properties of 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 412.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 46957915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).