2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone

C14H16BrNO3 — CID 116576444

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone
SMILESO=C(Cc1cc(Br)cc2c1OCC2)C1COCCN1
InChIInChI=1S/C14H16BrNO3/c15-11-5-9-1-3-19-14(9)10(6-11)7-13(17)12-8-18-4-2-16-12/h5-6,12,16H,1-4,7-8H2
InChIKeyNMCSWCMDOMZWOQ-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.48
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone (PubChem CID 116576444) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone
PubChem CID116576444
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone
SMILESO=C(Cc1cc(Br)cc2c1OCC2)C1COCCN1
InChIInChI=1S/C14H16BrNO3/c15-11-5-9-1-3-19-14(9)10(6-11)7-13(17)12-8-18-4-2-16-12/h5-6,12,16H,1-4,7-8H2
InChIKeyNMCSWCMDOMZWOQ-UHFFFAOYSA-N
XLogP1.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine-3-carboxamide
CID 104702626
1-(azepan-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116582740
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796953
(2R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine-2-carboxamide
CID 104914712
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116576152
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-piperidin-2-ylbutan-2-one
CID 116563807
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 104702750
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cycloheptylpropan-2-one
CID 115796676
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 115796884
2-(6-bromo-3,4-dihydro-2H-chromen-8-yl)acetic acid
CID 83903491
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
1-(1-aminocyclobutyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116598634

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone (CID 116576444) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone is O=C(Cc1cc(Br)cc2c1OCC2)C1COCCN1.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone?
The InChIKey is NMCSWCMDOMZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-11-5-9-1-3-19-14(9)10(6-11)7-13(17)12-8-18-4-2-16-12/h5-6,12,16H,1-4,7-8H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone has a molecular weight of 326.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-morpholin-3-ylethanone is sourced from PubChem (CID 116576444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).