(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone

C15H15Br2NO4 — CID 1068862

IUPAC(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCOc1c(Br)cc2c(C)c(C(=O)N3CCOCC3)oc2c1Br
InChIInChI=1S/C15H15Br2NO4/c1-8-9-7-10(16)14(20-2)11(17)13(9)22-12(8)15(19)18-3-5-21-6-4-18/h7H,3-6H2,1-2H3
InChIKeyHTGOUAGUWLGIND-UHFFFAOYSA-N
MW433.10 g/mol
LogP3.75
Rot. Bonds2

About (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone

(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone (PubChem CID 1068862) has the molecular formula C15H15Br2NO4 and a molecular weight of 433.10 g/mol. Its IUPAC name is (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
PubChem CID1068862
Molecular FormulaC15H15Br2NO4
Molecular Weight433.10 g/mol
Exact Mass430.94
IUPAC Name(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCOc1c(Br)cc2c(C)c(C(=O)N3CCOCC3)oc2c1Br
InChIInChI=1S/C15H15Br2NO4/c1-8-9-7-10(16)14(20-2)11(17)13(9)22-12(8)15(19)18-3-5-21-6-4-18/h7H,3-6H2,1-2H3
InChIKeyHTGOUAGUWLGIND-UHFFFAOYSA-N
XLogP3.75
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.10
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 166191080
3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-7-sulfonamide
CID 53105268
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671557
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094298
N-(3-fluoro-4-methylphenyl)-3,5,6-trimethyl-2-(morpholine-4-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105283
3,5,6-trimethyl-2-(morpholine-4-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-7-sulfonamide
CID 95084840
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 113205390

Frequently Asked Questions

What is the IUPAC name of (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone (CID 1068862) is (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone is COc1c(Br)cc2c(C)c(C(=O)N3CCOCC3)oc2c1Br.
What is the InChIKey of (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The InChIKey is HTGOUAGUWLGIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO4/c1-8-9-7-10(16)14(20-2)11(17)13(9)22-12(8)15(19)18-3-5-21-6-4-18/h7H,3-6H2,1-2H3.
What are the key properties of (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone has a molecular weight of 433.10 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1068862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).