(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C20H21ClN2O3 — CID 26094799

IUPAC(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-8-7-16(21)12-17(18)22-20(25)15-11-19(24)23(13-15)10-9-14-5-3-2-4-6-14/h2-8,12,15H,9-11,13H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyFQFPXHFTXZNBGC-HNNXBMFYSA-N
MW372.85 g/mol
LogP3.38
Rot. Bonds6

About (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 26094799) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID26094799
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-8-7-16(21)12-17(18)22-20(25)15-11-19(24)23(13-15)10-9-14-5-3-2-4-6-14/h2-8,12,15H,9-11,13H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyFQFPXHFTXZNBGC-HNNXBMFYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
(3S)-N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51878899
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
N-(2-methoxyphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185346
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24979390
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185041
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 26094799) is (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FQFPXHFTXZNBGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-18-8-7-16(21)12-17(18)22-20(25)15-11-19(24)23(13-15)10-9-14-5-3-2-4-6-14/h2-8,12,15H,9-11,13H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 26094799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).