(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate

C21H21F2NO4 — CID 55391856

IUPAC(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OC(F)F)cc1)OC(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H21F2NO4/c22-21(23)27-17-10-8-15(9-11-17)14-18(25)28-19(16-6-2-1-3-7-16)20(26)24-12-4-5-13-24/h1-3,6-11,19,21H,4-5,12-14H2
InChIKeyPWJKXPUJIZUXRR-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.74
Rot. Bonds7

About (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 55391856) has the molecular formula C21H21F2NO4 and a molecular weight of 389.40 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID55391856
Molecular FormulaC21H21F2NO4
Molecular Weight389.40 g/mol
Exact Mass389.14
IUPAC Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OC(F)F)cc1)OC(C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H21F2NO4/c22-21(23)27-17-10-8-15(9-11-17)14-18(25)28-19(16-6-2-1-3-7-16)20(26)24-12-4-5-13-24/h1-3,6-11,19,21H,4-5,12-14H2
InChIKeyPWJKXPUJIZUXRR-UHFFFAOYSA-N
XLogP3.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
2-[4-(difluoromethoxy)phenyl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35276883
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584
(2-morpholin-4-yl-2-oxo-1-phenylethyl) (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 45355303
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate (CID 55391856) is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate is O=C(Cc1ccc(OC(F)F)cc1)OC(C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is PWJKXPUJIZUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO4/c22-21(23)27-17-10-8-15(9-11-17)14-18(25)28-19(16-6-2-1-3-7-16)20(26)24-12-4-5-13-24/h1-3,6-11,19,21H,4-5,12-14H2.
What are the key properties of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate?
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 389.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 55391856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).