[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

C24H27ClN2O4 — CID 163339902

IUPAC[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCCC1COc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27ClN2O4/c1-30-22-15-18(25)8-11-21(22)24(29)27-14-4-5-19(27)16-31-20-9-6-17(7-10-20)23(28)26-12-2-3-13-26/h6-11,15,19H,2-5,12-14,16H2,1H3
InChIKeyXQTSXKCSJSSOSN-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.27
Rot. Bonds6

About [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 163339902) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID163339902
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCCC1COc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H27ClN2O4/c1-30-22-15-18(25)8-11-21(22)24(29)27-14-4-5-19(27)16-31-20-9-6-17(7-10-20)23(28)26-12-2-3-13-26/h6-11,15,19H,2-5,12-14,16H2,1H3
InChIKeyXQTSXKCSJSSOSN-UHFFFAOYSA-N
XLogP4.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone 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

4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900692
[2-(2-bromoethyl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 80666287
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
2-(2-chlorophenyl)-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339600
2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339605
4-[[(2S)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900623
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900456
[4-[[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846548
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340085
[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339439

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 163339902) is [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is COc1cc(Cl)ccc1C(=O)N1CCCC1COc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XQTSXKCSJSSOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-30-22-15-18(25)8-11-21(22)24(29)27-14-4-5-19(27)16-31-20-9-6-17(7-10-20)23(28)26-12-2-3-13-26/h6-11,15,19H,2-5,12-14,16H2,1H3.
What are the key properties of [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 442.94 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163339902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).