3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide

C28H29ClN2O2 — CID 26355431

IUPAC3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide
SMILESO=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29ClN2O2/c29-24-13-11-21(12-14-24)19-28(18-16-27(33)31-28)17-15-26(32)30-20-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2,(H,30,32)(H,31,33)/t28-/m0/s1
InChIKeyNJQQIDYRKZHPRK-NDEPHWFRSA-N
MW461.01 g/mol
LogP5.26
Rot. Bonds9

About 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide

3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide (PubChem CID 26355431) has the molecular formula C28H29ClN2O2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide
PubChem CID26355431
Molecular FormulaC28H29ClN2O2
Molecular Weight461.01 g/mol
Exact Mass460.19
IUPAC Name3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide
SMILESO=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29ClN2O2/c29-24-13-11-21(12-14-24)19-28(18-16-27(33)31-28)17-15-26(32)30-20-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2,(H,30,32)(H,31,33)/t28-/m0/s1
InChIKeyNJQQIDYRKZHPRK-NDEPHWFRSA-N
XLogP5.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42248204
3-[2-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91786804
N-[2-(2-fluorophenyl)ethyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 26403121
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42168999
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propanamide
CID 42170235
N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42424462
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]propanamide
CID 26277595
3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide
CID 125156631
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42212296
3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(R)-phenyl(pyridin-4-yl)methyl]propanamide
CID 42406204
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42371762

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide?
The IUPAC name of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide (CID 26355431) is 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide.
What is the SMILES notation for 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide?
The canonical SMILES for 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide is O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide?
The InChIKey is NJQQIDYRKZHPRK-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H29ClN2O2/c29-24-13-11-21(12-14-24)19-28(18-16-27(33)31-28)17-15-26(32)30-20-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2,(H,30,32)(H,31,33)/t28-/m0/s1.
What are the key properties of 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide?
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide has a molecular weight of 461.01 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide is sourced from PubChem (CID 26355431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).