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

C23H25FN2O3 — CID 50846223

IUPAC[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OCC2CCCN2C(=O)c2ccc(F)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H25FN2O3/c24-19-9-5-18(6-10-19)23(28)26-15-3-4-20(26)16-29-21-11-7-17(8-12-21)22(27)25-13-1-2-14-25/h5-12,20H,1-4,13-16H2
InChIKeySRMFDSGZHOIQEZ-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.75
Rot. Bonds5

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

[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 50846223) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID50846223
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OCC2CCCN2C(=O)c2ccc(F)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H25FN2O3/c24-19-9-5-18(6-10-19)23(28)26-15-3-4-20(26)16-29-21-11-7-17(8-12-21)22(27)25-13-1-2-14-25/h5-12,20H,1-4,13-16H2
InChIKeySRMFDSGZHOIQEZ-UHFFFAOYSA-N
XLogP3.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339605
[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
2-(2-chlorophenyl)-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339600
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900456
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide
CID 138053708
[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)diazenyl]phenyl]-[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methanone
CID 135922027
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 50846223) is [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(OCC2CCCN2C(=O)c2ccc(F)cc2)cc1)N1CCCC1.
What is the InChIKey of [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SRMFDSGZHOIQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-19-9-5-18(6-10-19)23(28)26-15-3-4-20(26)16-29-21-11-7-17(8-12-21)22(27)25-13-1-2-14-25/h5-12,20H,1-4,13-16H2.
What are the key properties of [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 396.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50846223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).