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

C20H20ClN3O4 — CID 92727099

IUPAC(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C20H20ClN3O4/c1-12(25)22-15-4-3-5-16(10-15)24-11-13(8-19(24)26)20(27)23-17-9-14(21)6-7-18(17)28-2/h3-7,9-10,13H,8,11H2,1-2H3,(H,22,25)(H,23,27)/t13-/m0/s1
InChIKeyJEXTZWJIBKUDCK-ZDUSSCGKSA-N
MW401.85 g/mol
LogP3.30
Rot. Bonds5

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

(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92727099) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92727099
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C20H20ClN3O4/c1-12(25)22-15-4-3-5-16(10-15)24-11-13(8-19(24)26)20(27)23-17-9-14(21)6-7-18(17)28-2/h3-7,9-10,13H,8,11H2,1-2H3,(H,22,25)(H,23,27)/t13-/m0/s1
InChIKeyJEXTZWJIBKUDCK-ZDUSSCGKSA-N
XLogP3.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947127
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50838030
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113189061
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 92727099) is (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(NC(C)=O)c2)C1.
What is the InChIKey of (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JEXTZWJIBKUDCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-12(25)22-15-4-3-5-16(10-15)24-11-13(8-19(24)26)20(27)23-17-9-14(21)6-7-18(17)28-2/h3-7,9-10,13H,8,11H2,1-2H3,(H,22,25)(H,23,27)/t13-/m0/s1.
What are the key properties of (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92727099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).