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

C24H29FN2O3 — CID 16673462

IUPAC2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C24H29FN2O3/c25-22-6-2-1-5-21(22)24(11-3-4-12-24)26-17-19-7-9-20(10-8-19)30-18-23(28)27-13-15-29-16-14-27/h1-2,5-10,26H,3-4,11-18H2
InChIKeyKOEHXULNMIODOH-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.62
Rot. Bonds7

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

2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 16673462) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID16673462
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1)N1CCOCC1
InChIInChI=1S/C24H29FN2O3/c25-22-6-2-1-5-21(22)24(11-3-4-12-24)26-17-19-7-9-20(10-8-19)30-18-23(28)27-13-15-29-16-14-27/h1-2,5-10,26H,3-4,11-18H2
InChIKeyKOEHXULNMIODOH-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 46965958
2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 46965959
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
1-(4-fluorophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 100674043
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
(E)-N-benzyl-2-cyano-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 126163201
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700
2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 2892548
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 16673462) is 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone is O=C(COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1)N1CCOCC1.
What is the InChIKey of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is KOEHXULNMIODOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c25-22-6-2-1-5-21(22)24(11-3-4-12-24)26-17-19-7-9-20(10-8-19)30-18-23(28)27-13-15-29-16-14-27/h1-2,5-10,26H,3-4,11-18H2.
What are the key properties of 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 412.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 16673462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).