[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone

C17H14BrF2NO2 — CID 47913144

IUPAC[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14BrF2NO2/c18-12-3-1-11(2-4-12)16-10-21(7-8-23-16)17(22)14-9-13(19)5-6-15(14)20/h1-6,9,16H,7-8,10H2
InChIKeyKXPKTVHQDSGVNT-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.94
Rot. Bonds2

About [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone

[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone (PubChem CID 47913144) has the molecular formula C17H14BrF2NO2 and a molecular weight of 382.20 g/mol. Its IUPAC name is [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
PubChem CID47913144
Molecular FormulaC17H14BrF2NO2
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Name[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14BrF2NO2/c18-12-3-1-11(2-4-12)16-10-21(7-8-23-16)17(22)14-9-13(19)5-6-15(14)20/h1-6,9,16H,7-8,10H2
InChIKeyKXPKTVHQDSGVNT-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 46579200
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 47023687
7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 139009064
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
CID 78945835
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone (CID 47913144) is [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is KXPKTVHQDSGVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2NO2/c18-12-3-1-11(2-4-12)16-10-21(7-8-23-16)17(22)14-9-13(19)5-6-15(14)20/h1-6,9,16H,7-8,10H2.
What are the key properties of [2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone?
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 382.20 g/mol, XLogP of 3.94, 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]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 47913144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).