(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H25ClN2O3 — CID 9004503

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C22H25ClN2O3/c1-4-14-7-6-8-15(5-2)21(14)24-22(27)16-11-20(26)25(13-16)18-12-17(23)9-10-19(18)28-3/h6-10,12,16H,4-5,11,13H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyZZBZBZFCZFVZBE-MRXNPFEDSA-N
MW400.91 g/mol
LogP4.47
Rot. Bonds6

About (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9004503) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9004503
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C22H25ClN2O3/c1-4-14-7-6-8-15(5-2)21(14)24-22(27)16-11-20(26)25(13-16)18-12-17(23)9-10-19(18)28-3/h6-10,12,16H,4-5,11,13H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyZZBZBZFCZFVZBE-MRXNPFEDSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 41156421
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351616
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
N-(2,6-diethylphenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113192156
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 112759173

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9004503) is (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZZBZBZFCZFVZBE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-4-14-7-6-8-15(5-2)21(14)24-22(27)16-11-20(26)25(13-16)18-12-17(23)9-10-19(18)28-3/h6-10,12,16H,4-5,11,13H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9004503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).