(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone

C17H22FNO3 — CID 128987900

IUPAC(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOCC2C2CCCC2O)c1F
InChIInChI=1S/C17H22FNO3/c1-11-4-2-6-13(16(11)18)17(21)19-8-9-22-10-14(19)12-5-3-7-15(12)20/h2,4,6,12,14-15,20H,3,5,7-10H2,1H3
InChIKeyFWEXLPPPJHOGMO-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.14
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone

(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone (PubChem CID 128987900) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
PubChem CID128987900
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOCC2C2CCCC2O)c1F
InChIInChI=1S/C17H22FNO3/c1-11-4-2-6-13(16(11)18)17(21)19-8-9-22-10-14(19)12-5-3-7-15(12)20/h2,4,6,12,14-15,20H,3,5,7-10H2,1H3
InChIKeyFWEXLPPPJHOGMO-UHFFFAOYSA-N
XLogP2.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methylphenyl)-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129349780
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486996
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486997
(2-fluoro-5-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987910
(2-fluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486470
(2-chloro-4,5-dimethylphenyl)-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486930
(4-chloro-2,5-dimethylphenyl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486915
(4-chloro-2,5-dimethylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987904
(5,6-dimethyl-1-benzofuran-3-yl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486999
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
(2,3-dimethylphenyl)-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129349773
(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81477265

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone (CID 128987900) is (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone is Cc1cccc(C(=O)N2CCOCC2C2CCCC2O)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone?
The InChIKey is FWEXLPPPJHOGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-11-4-2-6-13(16(11)18)17(21)19-8-9-22-10-14(19)12-5-3-7-15(12)20/h2,4,6,12,14-15,20H,3,5,7-10H2,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone?
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 128987900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).