(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O3 — CID 7220393

IUPAC(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-3-13-4-7-16(8-5-13)23-12-14(10-19(23)24)20(25)22-17-11-15(21)6-9-18(17)26-2/h4-9,11,14H,3,10,12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyXLQVPHDJDFJTPE-AWEZNQCLSA-N
MW372.85 g/mol
LogP3.90
Rot. Bonds5

About (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7220393) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7220393
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-3-13-4-7-16(8-5-13)23-12-14(10-19(23)24)20(25)22-17-11-15(21)6-9-18(17)26-2/h4-9,11,14H,3,10,12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyXLQVPHDJDFJTPE-AWEZNQCLSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42994529
(3S)-N'-(5-chloro-2-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9472189
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7299277
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55883534
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
(3R)-1-(4-ethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 797987
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46572792
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
(3S)-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39351536
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7220393) is (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1.
What is the InChIKey of (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XLQVPHDJDFJTPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-3-13-4-7-16(8-5-13)23-12-14(10-19(23)24)20(25)22-17-11-15(21)6-9-18(17)26-2/h4-9,11,14H,3,10,12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.90, 5 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)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7220393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).