1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H19ClN2O4 — CID 113188837

IUPAC1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(C(C)=O)c3)C2)cc1Cl
InChIInChI=1S/C20H19ClN2O4/c1-12(24)13-4-3-5-16(8-13)23-11-14(9-19(23)25)20(26)22-15-6-7-18(27-2)17(21)10-15/h3-8,10,14H,9,11H2,1-2H3,(H,22,26)
InChIKeyUVBWYUSRJJGCPG-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113188837) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113188837
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3cccc(C(C)=O)c3)C2)cc1Cl
InChIInChI=1S/C20H19ClN2O4/c1-12(24)13-4-3-5-16(8-13)23-11-14(9-19(23)25)20(26)22-15-6-7-18(27-2)17(21)10-15/h3-8,10,14H,9,11H2,1-2H3,(H,22,26)
InChIKeyUVBWYUSRJJGCPG-UHFFFAOYSA-N
XLogP3.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791219
methyl 3-[4-[(3,4-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189318
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
methyl 2-chloro-5-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42947593
(3S)-1-(3-chloro-4-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42581384
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
1-(4-acetylphenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188951
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55726133

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113188837) is 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3cccc(C(C)=O)c3)C2)cc1Cl.
What is the InChIKey of 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UVBWYUSRJJGCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12(24)13-4-3-5-16(8-13)23-11-14(9-19(23)25)20(26)22-15-6-7-18(27-2)17(21)10-15/h3-8,10,14H,9,11H2,1-2H3,(H,22,26).
What are the key properties of 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113188837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).