N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide

C21H20F4N2O4 — CID 54128625

IUPACN-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC(c3ccc(OC(F)F)c(OC(F)F)c3)CC2=O)cc1
InChIInChI=1S/C21H20F4N2O4/c1-12(28)26-16-5-2-13(3-6-16)10-27-11-15(9-19(27)29)14-4-7-17(30-20(22)23)18(8-14)31-21(24)25/h2-8,15,20-21H,9-11H2,1H3,(H,26,28)
InChIKeyNSSMFIKBQTWZRB-UHFFFAOYSA-N
MW440.39 g/mol
LogP4.36
Rot. Bonds8

About N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 54128625) has the molecular formula C21H20F4N2O4 and a molecular weight of 440.39 g/mol. Its IUPAC name is N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID54128625
Molecular FormulaC21H20F4N2O4
Molecular Weight440.39 g/mol
Exact Mass440.14
IUPAC NameN-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC(c3ccc(OC(F)F)c(OC(F)F)c3)CC2=O)cc1
InChIInChI=1S/C21H20F4N2O4/c1-12(28)26-16-5-2-13(3-6-16)10-27-11-15(9-19(27)29)14-4-7-17(30-20(22)23)18(8-14)31-21(24)25/h2-8,15,20-21H,9-11H2,1H3,(H,26,28)
InChIKeyNSSMFIKBQTWZRB-UHFFFAOYSA-N
XLogP4.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide (CID 54128625) is N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CC(c3ccc(OC(F)F)c(OC(F)F)c3)CC2=O)cc1.
What is the InChIKey of N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is NSSMFIKBQTWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O4/c1-12(28)26-16-5-2-13(3-6-16)10-27-11-15(9-19(27)29)14-4-7-17(30-20(22)23)18(8-14)31-21(24)25/h2-8,15,20-21H,9-11H2,1H3,(H,26,28).
What are the key properties of N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 440.39 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 54128625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).