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

C24H27FN2O5 — CID 86771877

IUPAC[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc(F)cc3)CC2C(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C24H27FN2O5/c1-30-18-7-8-19(22(13-18)31-2)20-14-27(23(28)16-3-5-17(25)6-4-16)15-21(20)24(29)26-9-11-32-12-10-26/h3-8,13,20-21H,9-12,14-15H2,1-2H3
InChIKeyOGILSLWVJZSOHK-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.56
Rot. Bonds5

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

[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 86771877) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID86771877
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc(F)cc3)CC2C(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C24H27FN2O5/c1-30-18-7-8-19(22(13-18)31-2)20-14-27(23(28)16-3-5-17(25)6-4-16)15-21(20)24(29)26-9-11-32-12-10-26/h3-8,13,20-21H,9-12,14-15H2,1-2H3
InChIKeyOGILSLWVJZSOHK-UHFFFAOYSA-N
XLogP2.56
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93151909
[(3S,4S)-1-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154886
[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42681054
(3R,4R)-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 93154069
(3S,4R)-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93154282
[(3R,4R)-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154903
[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42681993
cyclopentyl-[(3R,4R)-3-(2,4-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 93154878
[1-benzoyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42681551
(3R,4R)-4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93150566
4-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42680728
N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42681947

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 86771877) is [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is COc1ccc(C2CN(C(=O)c3ccc(F)cc3)CC2C(=O)N2CCOCC2)c(OC)c1.
What is the InChIKey of [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OGILSLWVJZSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-30-18-7-8-19(22(13-18)31-2)20-14-27(23(28)16-3-5-17(25)6-4-16)15-21(20)24(29)26-9-11-32-12-10-26/h3-8,13,20-21H,9-12,14-15H2,1-2H3.
What are the key properties of [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 442.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 86771877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).