(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H18Cl2N2O4 — CID 9394737

IUPAC(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-13-4-6-17(27-2)16(9-13)23-10-11(7-18(23)24)19(25)22-12-3-5-14(20)15(21)8-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyGIJSDAAPFXPKEW-NSHDSACASA-N
MW409.27 g/mol
LogP4.00
Rot. Bonds5

About (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9394737) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9394737
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1
InChIInChI=1S/C19H18Cl2N2O4/c1-26-13-4-6-17(27-2)16(9-13)23-10-11(7-18(23)24)19(25)22-12-3-5-14(20)15(21)8-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyGIJSDAAPFXPKEW-NSHDSACASA-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

N-(3,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335202
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587267
(3R)-N-(4-bromo-3-methylphenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40932432
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55989975
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
1-(2,5-dimethoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46584301
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9394737) is (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1.
What is the InChIKey of (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GIJSDAAPFXPKEW-NSHDSACASA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-26-13-4-6-17(27-2)16(9-13)23-10-11(7-18(23)24)19(25)22-12-3-5-14(20)15(21)8-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,22,25)/t11-/m0/s1.
What are the key properties of (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-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 (3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9394737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).