1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O4 — CID 113187460

IUPAC1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC
InChIInChI=1S/C20H21ClN2O4/c1-26-17-8-3-13(9-18(17)27-2)11-22-20(25)14-10-19(24)23(12-14)16-6-4-15(21)5-7-16/h3-9,14H,10-12H2,1-2H3,(H,22,25)
InChIKeyMGIGHRHOEIDORM-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187460) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113187460
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC
InChIInChI=1S/C20H21ClN2O4/c1-26-17-8-3-13(9-18(17)27-2)11-22-20(25)14-10-19(24)23(12-14)16-6-4-15(21)5-7-16/h3-9,14H,10-12H2,1-2H3,(H,22,25)
InChIKeyMGIGHRHOEIDORM-UHFFFAOYSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
(3S)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279688
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279695
1-(2,6-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113192262
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46433351
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541
(3R)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976970
N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113187460) is 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MGIGHRHOEIDORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-26-17-8-3-13(9-18(17)27-2)11-22-20(25)14-10-19(24)23(12-14)16-6-4-15(21)5-7-16/h3-9,14H,10-12H2,1-2H3,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).