2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide

C20H20F2N2O2 — CID 16919502

IUPAC2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O2/c21-17-5-1-14(2-6-17)9-19(25)23-11-16-10-20(26)24(13-16)12-15-3-7-18(22)8-4-15/h1-8,16H,9-13H2,(H,23,25)
InChIKeyAXPSBYFGDHWHCI-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 16919502) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID16919502
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O2/c21-17-5-1-14(2-6-17)9-19(25)23-11-16-10-20(26)24(13-16)12-15-3-7-18(22)8-4-15/h1-8,16H,9-13H2,(H,23,25)
InChIKeyAXPSBYFGDHWHCI-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 16919502) is 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NCC1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is AXPSBYFGDHWHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-17-5-1-14(2-6-17)9-19(25)23-11-16-10-20(26)24(13-16)12-15-3-7-18(22)8-4-15/h1-8,16H,9-13H2,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 358.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 16919502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).