N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide

C26H25FN2O2 — CID 16918752

IUPACN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C26H25FN2O2/c27-22-11-13-23(14-12-22)29-18-19(15-26(29)31)17-28-25(30)16-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2,(H,28,30)
InChIKeyIEWHQEPGLAHWKW-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.52
Rot. Bonds7

About N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide (PubChem CID 16918752) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide
PubChem CID16918752
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C26H25FN2O2/c27-22-11-13-23(14-12-22)29-18-19(15-26(29)31)17-28-25(30)16-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2,(H,28,30)
InChIKeyIEWHQEPGLAHWKW-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 40895865
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 40895927
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 16918650
ethyl N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896124
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide (CID 16918752) is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide?
The InChIKey is IEWHQEPGLAHWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c27-22-11-13-23(14-12-22)29-18-19(15-26(29)31)17-28-25(30)16-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2,(H,28,30).
What are the key properties of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide?
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide has a molecular weight of 416.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 16918752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).