(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one

C21H25ClN2O2 — CID 26356442

IUPAC(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESCOc1cccc(CNCC[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O2/c1-26-20-4-2-3-17(13-20)14-23-12-11-19-9-10-21(25)24(19)15-16-5-7-18(22)8-6-16/h2-8,13,19,23H,9-12,14-15H2,1H3/t19-/m1/s1
InChIKeyWXJKOZUKMBKFSV-LJQANCHMSA-N
MW372.90 g/mol
LogP4.02
Rot. Bonds8

About (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one

(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one (PubChem CID 26356442) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
PubChem CID26356442
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
SMILESCOc1cccc(CNCC[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O2/c1-26-20-4-2-3-17(13-20)14-23-12-11-19-9-10-21(25)24(19)15-16-5-7-18(22)8-6-16/h2-8,13,19,23H,9-12,14-15H2,1H3/t19-/m1/s1
InChIKeyWXJKOZUKMBKFSV-LJQANCHMSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26280880
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 26283248
(5R)-1-[2-(dimethylamino)ethyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 125163911
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 26342827
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 42164350
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-[(2S)-2-phenylpropyl]pyrrolidin-2-one
CID 26276309
(5S)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-propan-2-ylpyrrolidin-2-one
CID 26348735
1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 45215570
(5R)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 42342765
(5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
CID 125164340
1-[(2-chlorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45176405
(5S)-1-[2-(4-methoxyphenyl)ethyl]-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 26343476

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one (CID 26356442) is (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one is COc1cccc(CNCC[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is WXJKOZUKMBKFSV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-26-20-4-2-3-17(13-20)14-23-12-11-19-9-10-21(25)24(19)15-16-5-7-18(22)8-6-16/h2-8,13,19,23H,9-12,14-15H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one?
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 372.90 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 26356442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).