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

C17H14BrF2NO2 — CID 110364434

IUPAC[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C17H14BrF2NO2/c18-13-3-1-2-11(8-13)16-10-21(6-7-23-16)17(22)12-4-5-14(19)15(20)9-12/h1-5,8-9,16H,6-7,10H2
InChIKeyPOEXGUZPFIEYSJ-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.94
Rot. Bonds2

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

[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone (PubChem CID 110364434) has the molecular formula C17H14BrF2NO2 and a molecular weight of 382.20 g/mol. Its IUPAC name is [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
PubChem CID110364434
Molecular FormulaC17H14BrF2NO2
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Name[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C17H14BrF2NO2/c18-13-3-1-2-11(8-13)16-10-21(6-7-23-16)17(22)12-4-5-14(19)15(20)9-12/h1-5,8-9,16H,6-7,10H2
InChIKeyPOEXGUZPFIEYSJ-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

[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
CID 110364027
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
(3,4-difluorophenyl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740441
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone (CID 110364434) is [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is POEXGUZPFIEYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2NO2/c18-13-3-1-2-11(8-13)16-10-21(6-7-23-16)17(22)12-4-5-14(19)15(20)9-12/h1-5,8-9,16H,6-7,10H2.
What are the key properties of [2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone?
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-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-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 110364434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).