2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

C24H29FN2O2 — CID 46965958

IUPAC2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1)N1CCCC1
InChIInChI=1S/C24H29FN2O2/c25-22-8-2-1-7-21(22)24(13-3-4-14-24)26-17-19-9-11-20(12-10-19)29-18-23(28)27-15-5-6-16-27/h1-2,7-12,26H,3-6,13-18H2
InChIKeyVVYOLFKOXDIQQJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.39
Rot. Bonds7

About 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 46965958) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID46965958
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1)N1CCCC1
InChIInChI=1S/C24H29FN2O2/c25-22-8-2-1-7-21(22)24(13-3-4-14-24)26-17-19-9-11-20(12-10-19)29-18-23(28)27-15-5-6-16-27/h1-2,7-12,26H,3-6,13-18H2
InChIKeyVVYOLFKOXDIQQJ-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 16673462
2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 46965959
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 170879092
N-[1-(2-fluorophenyl)cyclobutyl]pyrrolidine-1-carboxamide
CID 110469855
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 59492720
N-[1-(2-fluorophenyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
CID 110440158
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 46965958) is 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1)N1CCCC1.
What is the InChIKey of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is VVYOLFKOXDIQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-22-8-2-1-7-21(22)24(13-3-4-14-24)26-17-19-9-11-20(12-10-19)29-18-23(28)27-15-5-6-16-27/h1-2,7-12,26H,3-6,13-18H2.
What are the key properties of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 396.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 46965958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).