(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone

C18H17ClFNO3 — CID 93336807

IUPAC(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCO[C@H](COc2cccc(F)c2)C1
InChIInChI=1S/C18H17ClFNO3/c19-14-6-4-13(5-7-14)18(22)21-8-9-23-17(11-21)12-24-16-3-1-2-15(20)10-16/h1-7,10,17H,8-9,11-12H2/t17-/m0/s1
InChIKeyLFXPMMOWVIQCSF-KRWDZBQOSA-N
MW349.79 g/mol
LogP3.40
Rot. Bonds4

About (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone

(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 93336807) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
PubChem CID93336807
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCO[C@H](COc2cccc(F)c2)C1
InChIInChI=1S/C18H17ClFNO3/c19-14-6-4-13(5-7-14)18(22)21-8-9-23-17(11-21)12-24-16-3-1-2-15(20)10-16/h1-7,10,17H,8-9,11-12H2/t17-/m0/s1
InChIKeyLFXPMMOWVIQCSF-KRWDZBQOSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92760487
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone (CID 93336807) is (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCO[C@H](COc2cccc(F)c2)C1.
What is the InChIKey of (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is LFXPMMOWVIQCSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c19-14-6-4-13(5-7-14)18(22)21-8-9-23-17(11-21)12-24-16-3-1-2-15(20)10-16/h1-7,10,17H,8-9,11-12H2/t17-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone?
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 349.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 93336807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).