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

C15H14BrNO3 — CID 110364402

IUPAC[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H14BrNO3/c16-12-4-1-3-11(9-12)14-10-17(6-8-20-14)15(18)13-5-2-7-19-13/h1-5,7,9,14H,6,8,10H2
InChIKeyGBXPPDLMYNPLJH-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.26
Rot. Bonds2

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

[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone (PubChem CID 110364402) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
PubChem CID110364402
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H14BrNO3/c16-12-4-1-3-11(9-12)14-10-17(6-8-20-14)15(18)13-5-2-7-19-13/h1-5,7,9,14H,6,8,10H2
InChIKeyGBXPPDLMYNPLJH-UHFFFAOYSA-N
XLogP3.26
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[3-(3-bromophenyl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84609797
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119757100
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-bromophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119757090
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
(5-bromofuran-2-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31414929

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone (CID 110364402) is [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
The InChIKey is GBXPPDLMYNPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-12-4-1-3-11(9-12)14-10-17(6-8-20-14)15(18)13-5-2-7-19-13/h1-5,7,9,14H,6,8,10H2.
What are the key properties of [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone has a molecular weight of 336.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110364402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).