N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H18Cl2N2O4 — CID 46581359

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-26-16-9-17(27-2)15(8-14(16)21)22-19(25)11-6-18(24)23(10-11)13-5-3-4-12(20)7-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,22,25)
InChIKeyCBHKTDDKKFWXEQ-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.00
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46581359) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46581359
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O4/c1-26-16-9-17(27-2)15(8-14(16)21)22-19(25)11-6-18(24)23(10-11)13-5-3-4-12(20)7-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,22,25)
InChIKeyCBHKTDDKKFWXEQ-UHFFFAOYSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55883534
1-(3-acetylphenyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188837
(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004873
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191304
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393
methyl 3-[4-[(2,5-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189351

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 46581359) is N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(OC)c(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CBHKTDDKKFWXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-26-16-9-17(27-2)15(8-14(16)21)22-19(25)11-6-18(24)23(10-11)13-5-3-4-12(20)7-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,22,25).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.27 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46581359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).