1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C24H27ClN2O5 — CID 42907667

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)C2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)cc1
InChIInChI=1S/C24H27ClN2O5/c1-30-17-8-6-15(7-9-17)19-5-4-10-26(19)24(29)16-11-23(28)27(14-16)20-12-18(25)21(31-2)13-22(20)32-3/h6-9,12-13,16,19H,4-5,10-11,14H2,1-3H3
InChIKeyXYGNJHREJLAJFL-UHFFFAOYSA-N
MW458.94 g/mol
LogP4.08
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 42907667) has the molecular formula C24H27ClN2O5 and a molecular weight of 458.94 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID42907667
Molecular FormulaC24H27ClN2O5
Molecular Weight458.94 g/mol
Exact Mass458.16
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)C2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)cc1
InChIInChI=1S/C24H27ClN2O5/c1-30-17-8-6-15(7-9-17)19-5-4-10-26(19)24(29)16-11-23(28)27(14-16)20-12-18(25)21(31-2)13-22(20)32-3/h6-9,12-13,16,19H,4-5,10-11,14H2,1-3H3
InChIKeyXYGNJHREJLAJFL-UHFFFAOYSA-N
XLogP4.08
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 11946747
(4S)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351509
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56811909
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92594763
(4S)-4-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 33225652
(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94097508
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55543629
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 42907667) is 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(C2CCCN2C(=O)C2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)cc1.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XYGNJHREJLAJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O5/c1-30-17-8-6-15(7-9-17)19-5-4-10-26(19)24(29)16-11-23(28)27(14-16)20-12-18(25)21(31-2)13-22(20)32-3/h6-9,12-13,16,19H,4-5,10-11,14H2,1-3H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 458.94 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 42907667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).