3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C15H14ClFN2O4 — CID 91814981

IUPAC3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(N2C(=O)COC2=O)C1
InChIInChI=1S/C15H14ClFN2O4/c16-11-2-1-3-12(17)10(11)6-13(20)18-5-4-9(7-18)19-14(21)8-23-15(19)22/h1-3,9H,4-8H2
InChIKeyCQRPQIIYDPGPEL-UHFFFAOYSA-N
MW340.74 g/mol
LogP1.60
Rot. Bonds3

About 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91814981) has the molecular formula C15H14ClFN2O4 and a molecular weight of 340.74 g/mol. Its IUPAC name is 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91814981
Molecular FormulaC15H14ClFN2O4
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Name3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1c(F)cccc1Cl)N1CCC(N2C(=O)COC2=O)C1
InChIInChI=1S/C15H14ClFN2O4/c16-11-2-1-3-12(17)10(11)6-13(20)18-5-4-9(7-18)19-14(21)8-23-15(19)22/h1-3,9H,4-8H2
InChIKeyCQRPQIIYDPGPEL-UHFFFAOYSA-N
XLogP1.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159909
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124761260
3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877381
3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727878
2-(2-chloro-6-fluorophenyl)-1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 155494157
2-(2-chloro-6-fluorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746530
3-[(3S)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727854
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
1-(3-bromopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 80660364
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 91814981) is 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(Cc1c(F)cccc1Cl)N1CCC(N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CQRPQIIYDPGPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4/c16-11-2-1-3-12(17)10(11)6-13(20)18-5-4-9(7-18)19-14(21)8-23-15(19)22/h1-3,9H,4-8H2.
What are the key properties of 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 340.74 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91814981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).