(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone

C18H16ClF2NO3 — CID 46059327

IUPAC(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(COc2ccc(F)cc2F)C1
InChIInChI=1S/C18H16ClF2NO3/c19-13-3-1-12(2-4-13)18(23)22-7-8-24-15(10-22)11-25-17-6-5-14(20)9-16(17)21/h1-6,9,15H,7-8,10-11H2
InChIKeyVXEXMXVGQBJBCK-UHFFFAOYSA-N
MW367.78 g/mol
LogP3.54
Rot. Bonds4

About (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone

(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 46059327) has the molecular formula C18H16ClF2NO3 and a molecular weight of 367.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
PubChem CID46059327
Molecular FormulaC18H16ClF2NO3
Molecular Weight367.78 g/mol
Exact Mass367.08
IUPAC Name(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(COc2ccc(F)cc2F)C1
InChIInChI=1S/C18H16ClF2NO3/c19-13-3-1-12(2-4-13)18(23)22-7-8-24-15(10-22)11-25-17-6-5-14(20)9-16(17)21/h1-6,9,15H,7-8,10-11H2
InChIKeyVXEXMXVGQBJBCK-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]-(furan-2-yl)methanone
CID 46041071
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
(5-bromothiophen-2-yl)-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 3752460
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone (CID 46059327) is (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCOC(COc2ccc(F)cc2F)C1.
What is the InChIKey of (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is VXEXMXVGQBJBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO3/c19-13-3-1-12(2-4-13)18(23)22-7-8-24-15(10-22)11-25-17-6-5-14(20)9-16(17)21/h1-6,9,15H,7-8,10-11H2.
What are the key properties of (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone?
(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 367.78 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 46059327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).