2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone

C18H18F2N2O2 — CID 146126544

IUPAC2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CNc1ccc(F)cc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-1-13(2-4-14)17-12-22(9-10-24-17)18(23)11-21-16-7-5-15(20)6-8-16/h1-8,17,21H,9-12H2
InChIKeyBSZKLZWMMFZEPX-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.98
Rot. Bonds4

About 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone

2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 146126544) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID146126544
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CNc1ccc(F)cc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H18F2N2O2/c19-14-3-1-13(2-4-14)17-12-22(9-10-24-17)18(23)11-21-16-7-5-15(20)6-8-16/h1-8,17,21H,9-12H2
InChIKeyBSZKLZWMMFZEPX-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 146126544) is 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone is O=C(CNc1ccc(F)cc1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is BSZKLZWMMFZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-3-1-13(2-4-14)17-12-22(9-10-24-17)18(23)11-21-16-7-5-15(20)6-8-16/h1-8,17,21H,9-12H2.
What are the key properties of 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 332.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 146126544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).