2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide

C20H23BrN2O4 — CID 17426993

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(Br)c(CC(=O)Nc2ccccc2N2CCOCC2)cc1OC
InChIInChI=1S/C20H23BrN2O4/c1-25-18-11-14(15(21)13-19(18)26-2)12-20(24)22-16-5-3-4-6-17(16)23-7-9-27-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,24)
InChIKeyXTPGBGZJDWFJCE-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 17426993) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID17426993
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCOc1cc(Br)c(CC(=O)Nc2ccccc2N2CCOCC2)cc1OC
InChIInChI=1S/C20H23BrN2O4/c1-25-18-11-14(15(21)13-19(18)26-2)12-20(24)22-16-5-3-4-6-17(16)23-7-9-27-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,24)
InChIKeyXTPGBGZJDWFJCE-UHFFFAOYSA-N
XLogP3.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 109022218
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 46813553
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(2-bromoanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109010619
2-(2-bromo-4-fluorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2627522
2-(2-bromo-4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 5021138
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide (CID 17426993) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide is COc1cc(Br)c(CC(=O)Nc2ccccc2N2CCOCC2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is XTPGBGZJDWFJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-25-18-11-14(15(21)13-19(18)26-2)12-20(24)22-16-5-3-4-6-17(16)23-7-9-27-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 435.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 17426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).