methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate

C20H19F2NO5 — CID 67107388

IUPACmethyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate
SMILESCOC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C20H19F2NO5/c1-26-20(25)16-10-13(19(24)23-6-8-27-9-7-23)3-5-18(16)28-12-14-2-4-15(21)11-17(14)22/h2-5,10-11H,6-9,12H2,1H3
InChIKeyOLDYLFUONNUMLA-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.80
Rot. Bonds5

About methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate

methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate (PubChem CID 67107388) has the molecular formula C20H19F2NO5 and a molecular weight of 391.37 g/mol. Its IUPAC name is methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate
PubChem CID67107388
Molecular FormulaC20H19F2NO5
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Namemethyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate
SMILESCOC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C20H19F2NO5/c1-26-20(25)16-10-13(19(24)23-6-8-27-9-7-23)3-5-18(16)28-12-14-2-4-15(21)11-17(14)22/h2-5,10-11H,6-9,12H2,1H3
InChIKeyOLDYLFUONNUMLA-UHFFFAOYSA-N
XLogP2.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone
CID 158196410
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 69025877
1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone
CID 159065235
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrimidin-4-one
CID 21089673
[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 60600662
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
methyl 2-(carbamothioylamino)-4-(morpholine-4-carbonyl)benzoate
CID 169358231
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate?
The IUPAC name of methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate (CID 67107388) is methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate.
What is the SMILES notation for methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate?
The canonical SMILES for methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate is COC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate?
The InChIKey is OLDYLFUONNUMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO5/c1-26-20(25)16-10-13(19(24)23-6-8-27-9-7-23)3-5-18(16)28-12-14-2-4-15(21)11-17(14)22/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate?
methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate has a molecular weight of 391.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate is sourced from PubChem (CID 67107388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).