(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C22H24ClN3O4 — CID 41156421

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C22H24ClN3O4/c1-3-14-6-4-5-7-17(14)25-20(27)12-24-22(29)15-10-21(28)26(13-15)18-11-16(23)8-9-19(18)30-2/h4-9,11,15H,3,10,12-13H2,1-2H3,(H,24,29)(H,25,27)/t15-/m1/s1
InChIKeySSYCXUNHERBRKG-OAHLLOKOSA-N
MW429.90 g/mol
LogP3.02
Rot. Bonds7

About (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 41156421) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID41156421
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C22H24ClN3O4/c1-3-14-6-4-5-7-17(14)25-20(27)12-24-22(29)15-10-21(28)26(13-15)18-11-16(23)8-9-19(18)30-2/h4-9,11,15H,3,10,12-13H2,1-2H3,(H,24,29)(H,25,27)/t15-/m1/s1
InChIKeySSYCXUNHERBRKG-OAHLLOKOSA-N
XLogP3.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrolidine-3-carboxamide
CID 55331707
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 26003271
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8588917
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3164250
(3S)-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39351536

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 41156421) is (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SSYCXUNHERBRKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-3-14-6-4-5-7-17(14)25-20(27)12-24-22(29)15-10-21(28)26(13-15)18-11-16(23)8-9-19(18)30-2/h4-9,11,15H,3,10,12-13H2,1-2H3,(H,24,29)(H,25,27)/t15-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.90 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41156421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).