[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

C24H27ClN2O4 — CID 42681993

IUPAC[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)N2CCCC2)c(OC)c1
InChIInChI=1S/C24H27ClN2O4/c1-30-16-9-10-17(22(13-16)31-2)19-14-27(23(28)18-7-3-4-8-21(18)25)15-20(19)24(29)26-11-5-6-12-26/h3-4,7-10,13,19-20H,5-6,11-12,14-15H2,1-2H3
InChIKeyJRJHNLOZWUDTPY-UHFFFAOYSA-N
MW442.94 g/mol
LogP3.84
Rot. Bonds5

About [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42681993) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID42681993
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)N2CCCC2)c(OC)c1
InChIInChI=1S/C24H27ClN2O4/c1-30-16-9-10-17(22(13-16)31-2)19-14-27(23(28)18-7-3-4-8-21(18)25)15-20(19)24(29)26-11-5-6-12-26/h3-4,7-10,13,19-20H,5-6,11-12,14-15H2,1-2H3
InChIKeyJRJHNLOZWUDTPY-UHFFFAOYSA-N
XLogP3.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-1-(2,4-dichlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154894
[(3R,4R)-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154903
[(3S,4S)-1-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154886
cyclopentyl-[(3R,4R)-3-(2,4-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 93154878
[1-(3-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42681559
[1-benzoyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42681551
[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42825796
[1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42681573
[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 86771877
[(3R,4R)-1-(3-methoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93148856
[(3S,4R)-1-(2,4-dichlorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93150211
1-[(3S,4R)-3-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 93153864

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (CID 42681993) is [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is COc1ccc(C2CN(C(=O)c3ccccc3Cl)CC2C(=O)N2CCCC2)c(OC)c1.
What is the InChIKey of [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JRJHNLOZWUDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-30-16-9-10-17(22(13-16)31-2)19-14-27(23(28)18-7-3-4-8-21(18)25)15-20(19)24(29)26-11-5-6-12-26/h3-4,7-10,13,19-20H,5-6,11-12,14-15H2,1-2H3.
What are the key properties of [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 442.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42681993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).