5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one

C22H24ClNO3 — CID 123710234

IUPAC5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1C(=O)C(O)CC1Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H24ClNO3/c1-22(2,3)21(27)24-18(13-19(25)20(24)26)11-14-7-9-15(10-8-14)16-5-4-6-17(23)12-16/h4-10,12,18-19,25H,11,13H2,1-3H3
InChIKeyDKNFNQWLGLCYCA-UHFFFAOYSA-N
MW385.89 g/mol
LogP4.08
Rot. Bonds3

About 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one

5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one (PubChem CID 123710234) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one
PubChem CID123710234
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1C(=O)C(O)CC1Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H24ClNO3/c1-22(2,3)21(27)24-18(13-19(25)20(24)26)11-14-7-9-15(10-8-14)16-5-4-6-17(23)12-16/h4-10,12,18-19,25H,11,13H2,1-3H3
InChIKeyDKNFNQWLGLCYCA-UHFFFAOYSA-N
XLogP4.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 67987687
(2R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;(5S)-1-(2,2-dimethylpropanoyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;methane
CID 158311901
1-[[4-(3-chlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 46872742
tert-butyl (5S)-3-(2,2-dimethylpropanoyl)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 53312072
tert-butyl (5S)-5-[[4-(3-fluorophenyl)phenyl]methyl]-3-formyl-2-oxopyrrolidine-1-carboxylate
CID 123146369
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 70974571
1-[2-[4-(3-chlorophenyl)phenyl]acetyl]-2-methylazetidine-2-carboxylic acid
CID 70558650
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
trimethyl-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]azanium iodide
CID 87521326
(3S,5S)-1-(2,2-dimethylpropanoyl)-5-[[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]methyl]-3-methylpyrrolidin-2-one
CID 90145972
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
CID 71731035

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one (CID 123710234) is 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one is CC(C)(C)C(=O)N1C(=O)C(O)CC1Cc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is DKNFNQWLGLCYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO3/c1-22(2,3)21(27)24-18(13-19(25)20(24)26)11-14-7-9-15(10-8-14)16-5-4-6-17(23)12-16/h4-10,12,18-19,25H,11,13H2,1-3H3.
What are the key properties of 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one?
5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 385.89 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 123710234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).