2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone

C14H15BrClNO4 — CID 62224279

IUPAC2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone
SMILESO=C(C(Cl)c1cc(Br)c2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C14H15BrClNO4/c15-10-7-9(8-11-13(10)21-6-5-20-11)12(16)14(18)17-1-3-19-4-2-17/h7-8,12H,1-6H2
InChIKeyJEFNGZSTIHLBOI-UHFFFAOYSA-N
MW376.63 g/mol
LogP2.36
Rot. Bonds2

About 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone

2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone (PubChem CID 62224279) has the molecular formula C14H15BrClNO4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone
PubChem CID62224279
Molecular FormulaC14H15BrClNO4
Molecular Weight376.63 g/mol
Exact Mass374.99
IUPAC Name2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone
SMILESO=C(C(Cl)c1cc(Br)c2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C14H15BrClNO4/c15-10-7-9(8-11-13(10)21-6-5-20-11)12(16)14(18)17-1-3-19-4-2-17/h7-8,12H,1-6H2
InChIKeyJEFNGZSTIHLBOI-UHFFFAOYSA-N
XLogP2.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-chloro-N,N-dimethylacetamide
CID 62224803
2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-chloro-N,N-diethylacetamide
CID 62224443
2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone
CID 66159358
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetonitrile
CID 43436579
3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-hydroxypropanoic acid
CID 62395120
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017196
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol
CID 82713152
sodium (5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-hydroxymethanesulfonate
CID 103573910
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(propan-2-ylamino)acetic acid
CID 43754308
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8913702

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone (CID 62224279) is 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone is O=C(C(Cl)c1cc(Br)c2c(c1)OCCO2)N1CCOCC1.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone?
The InChIKey is JEFNGZSTIHLBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO4/c15-10-7-9(8-11-13(10)21-6-5-20-11)12(16)14(18)17-1-3-19-4-2-17/h7-8,12H,1-6H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone?
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone has a molecular weight of 376.63 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-1-morpholin-4-ylethanone is sourced from PubChem (CID 62224279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).