[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone

C17H15BrFNO2 — CID 47913292

IUPAC[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H15BrFNO2/c18-14-5-1-12(2-6-14)16-11-20(9-10-22-16)17(21)13-3-7-15(19)8-4-13/h1-8,16H,9-11H2
InChIKeyZSMKDHLNVDSHBV-UHFFFAOYSA-N
MW364.21 g/mol
LogP3.80
Rot. Bonds2

About [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone

[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 47913292) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
PubChem CID47913292
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H15BrFNO2/c18-14-5-1-12(2-6-14)16-11-20(9-10-22-16)17(21)13-3-7-15(19)8-4-13/h1-8,16H,9-11H2
InChIKeyZSMKDHLNVDSHBV-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.80
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
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 95215393
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone (CID 47913292) is [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZSMKDHLNVDSHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c18-14-5-1-12(2-6-14)16-11-20(9-10-22-16)17(21)13-3-7-15(19)8-4-13/h1-8,16H,9-11H2.
What are the key properties of [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone?
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 364.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 47913292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).