(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone

C13H16BrNO4 — CID 66800644

IUPAC(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1c(Br)ccc(C(=O)N2CCOCC2)c1OC
InChIInChI=1S/C13H16BrNO4/c1-17-11-9(3-4-10(14)12(11)18-2)13(16)15-5-7-19-8-6-15/h3-4H,5-8H2,1-2H3
InChIKeyZLGNEXSPDXLXFP-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.94
Rot. Bonds3

About (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone

(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 66800644) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
PubChem CID66800644
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1c(Br)ccc(C(=O)N2CCOCC2)c1OC
InChIInChI=1S/C13H16BrNO4/c1-17-11-9(3-4-10(14)12(11)18-2)13(16)15-5-7-19-8-6-15/h3-4H,5-8H2,1-2H3
InChIKeyZLGNEXSPDXLXFP-UHFFFAOYSA-N
XLogP1.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
2,4-bis[3-bromo-4-(morpholine-4-carbonyl)phenyl]pentan-3-one
CID 150103048
1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671557
(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
CID 146012637
(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 1068862

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone (CID 66800644) is (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone is COc1c(Br)ccc(C(=O)N2CCOCC2)c1OC.
What is the InChIKey of (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is ZLGNEXSPDXLXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-17-11-9(3-4-10(14)12(11)18-2)13(16)15-5-7-19-8-6-15/h3-4H,5-8H2,1-2H3.
What are the key properties of (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone?
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 330.18 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 66800644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).