4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one

C19H19F2NO3 — CID 23614634

IUPAC4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c(OCCc3ccccc3)c2)CN1
InChIInChI=1S/C19H19F2NO3/c20-19(21)25-16-7-6-14(15-11-18(23)22-12-15)10-17(16)24-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2,(H,22,23)
InChIKeyUCJFZIKMQFGNHW-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.51
Rot. Bonds7

About 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one

4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 23614634) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
PubChem CID23614634
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c(OCCc3ccccc3)c2)CN1
InChIInChI=1S/C19H19F2NO3/c20-19(21)25-16-7-6-14(15-11-18(23)22-12-15)10-17(16)24-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2,(H,22,23)
InChIKeyUCJFZIKMQFGNHW-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one (CID 23614634) is 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one is O=C1CC(c2ccc(OC(F)F)c(OCCc3ccccc3)c2)CN1.
What is the InChIKey of 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is UCJFZIKMQFGNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-19(21)25-16-7-6-14(15-11-18(23)22-12-15)10-17(16)24-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2,(H,22,23).
What are the key properties of 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one?
4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 347.36 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)-3-(2-phenylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 23614634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).