(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone

C19H19F2NO3 — CID 46100398

IUPAC(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3ccc(F)c(F)c3)CCO2)cc1
InChIInChI=1S/C19H19F2NO3/c1-13-2-5-15(6-3-13)25-12-16-11-22(8-9-24-16)19(23)14-4-7-17(20)18(21)10-14/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyNAGSOZFEXGZXFV-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.19
Rot. Bonds4

About (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone

(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 46100398) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
PubChem CID46100398
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(OCC2CN(C(=O)c3ccc(F)c(F)c3)CCO2)cc1
InChIInChI=1S/C19H19F2NO3/c1-13-2-5-15(6-3-13)25-12-16-11-22(8-9-24-16)19(23)14-4-7-17(20)18(21)10-14/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyNAGSOZFEXGZXFV-UHFFFAOYSA-N
XLogP3.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone (CID 46100398) is (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone is Cc1ccc(OCC2CN(C(=O)c3ccc(F)c(F)c3)CCO2)cc1.
What is the InChIKey of (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is NAGSOZFEXGZXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-13-2-5-15(6-3-13)25-12-16-11-22(8-9-24-16)19(23)14-4-7-17(20)18(21)10-14/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone?
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 347.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 46100398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).