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

C15H14BrNO3 — CID 124571786

IUPAC[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C15H14BrNO3/c16-13-4-2-1-3-12(13)14-9-17(6-8-20-14)15(18)11-5-7-19-10-11/h1-5,7,10,14H,6,8-9H2/t14-/m1/s1
InChIKeyLJKDJDWGWFPEPI-CQSZACIVSA-N
MW336.19 g/mol
LogP3.26
Rot. Bonds2

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

[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone (PubChem CID 124571786) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
PubChem CID124571786
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C15H14BrNO3/c16-13-4-2-1-3-12(13)14-9-17(6-8-20-14)15(18)11-5-7-19-10-11/h1-5,7,10,14H,6,8-9H2/t14-/m1/s1
InChIKeyLJKDJDWGWFPEPI-CQSZACIVSA-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

[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
CID 95313388
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
6-[2-(2-bromophenyl)morpholine-4-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 139009096
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone?
The IUPAC name of [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone (CID 124571786) is [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCO[C@@H](c2ccccc2Br)C1.
What is the InChIKey of [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone?
The InChIKey is LJKDJDWGWFPEPI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-13-4-2-1-3-12(13)14-9-17(6-8-20-14)15(18)11-5-7-19-10-11/h1-5,7,10,14H,6,8-9H2/t14-/m1/s1.
What are the key properties of [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone?
[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-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 [(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 124571786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).