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

C19H19F2NO2 — CID 110364027

IUPAC(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2CN(C(=O)c3ccc(F)c(F)c3)CCO2)cc1
InChIInChI=1S/C19H19F2NO2/c1-2-13-3-5-14(6-4-13)18-12-22(9-10-24-18)19(23)15-7-8-16(20)17(21)11-15/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyTXJCREUYIGPBHQ-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.74
Rot. Bonds3

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

(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone (PubChem CID 110364027) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
PubChem CID110364027
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2CN(C(=O)c3ccc(F)c(F)c3)CCO2)cc1
InChIInChI=1S/C19H19F2NO2/c1-2-13-3-5-14(6-4-13)18-12-22(9-10-24-18)19(23)15-7-8-16(20)17(21)11-15/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyTXJCREUYIGPBHQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740441
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone (CID 110364027) is (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone is CCc1ccc(C2CN(C(=O)c3ccc(F)c(F)c3)CCO2)cc1.
What is the InChIKey of (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone?
The InChIKey is TXJCREUYIGPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-2-13-3-5-14(6-4-13)18-12-22(9-10-24-18)19(23)15-7-8-16(20)17(21)11-15/h3-8,11,18H,2,9-10,12H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone?
(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone has a molecular weight of 331.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110364027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).