(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

C17H21F2NO3 — CID 129486997

IUPAC(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)cc1F
InChIInChI=1S/C17H21F2NO3/c1-10-7-12(14(19)8-13(10)18)17(22)20-5-6-23-9-15(20)11-3-2-4-16(11)21/h7-8,11,15-16,21H,2-6,9H2,1H3/t11-,15+,16-/m0/s1
InChIKeyXSPMQFNLOXNLND-XZJROXQQSA-N
MW325.36 g/mol
LogP2.28
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone

(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (PubChem CID 129486997) has the molecular formula C17H21F2NO3 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
PubChem CID129486997
Molecular FormulaC17H21F2NO3
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)cc1F
InChIInChI=1S/C17H21F2NO3/c1-10-7-12(14(19)8-13(10)18)17(22)20-5-6-23-9-15(20)11-3-2-4-16(11)21/h7-8,11,15-16,21H,2-6,9H2,1H3/t11-,15+,16-/m0/s1
InChIKeyXSPMQFNLOXNLND-XZJROXQQSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486996
(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
(2-fluoro-3-methylphenyl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987900
(5,6-dimethyl-1-benzofuran-3-yl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486999
(5-bromofuran-3-yl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987926
(2,4-difluoro-5-methylphenyl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325984
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone (CID 129486997) is (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
The InChIKey is XSPMQFNLOXNLND-XZJROXQQSA-N. The full InChI is InChI=1S/C17H21F2NO3/c1-10-7-12(14(19)8-13(10)18)17(22)20-5-6-23-9-15(20)11-3-2-4-16(11)21/h7-8,11,15-16,21H,2-6,9H2,1H3/t11-,15+,16-/m0/s1.
What are the key properties of (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone?
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone has a molecular weight of 325.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone is sourced from PubChem (CID 129486997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).