2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

C19H18BrF3N2O4 — CID 26311942

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C19H18BrF3N2O4/c1-25(9-16(26)24-13-5-4-12(21)18(22)19(13)23)17(27)7-10-6-14(28-2)15(29-3)8-11(10)20/h4-6,8H,7,9H2,1-3H3,(H,24,26)
InChIKeyCGSYQAOQNWGMTC-UHFFFAOYSA-N
MW475.26 g/mol
LogP3.52
Rot. Bonds7

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (PubChem CID 26311942) has the molecular formula C19H18BrF3N2O4 and a molecular weight of 475.26 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
PubChem CID26311942
Molecular FormulaC19H18BrF3N2O4
Molecular Weight475.26 g/mol
Exact Mass474.04
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C19H18BrF3N2O4/c1-25(9-16(26)24-13-5-4-12(21)18(22)19(13)23)17(27)7-10-6-14(28-2)15(29-3)8-11(10)20/h4-6,8H,7,9H2,1-3H3,(H,24,26)
InChIKeyCGSYQAOQNWGMTC-UHFFFAOYSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7936390
3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
CID 53267572
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (CID 26311942) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is COc1cc(Br)c(CC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The InChIKey is CGSYQAOQNWGMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF3N2O4/c1-25(9-16(26)24-13-5-4-12(21)18(22)19(13)23)17(27)7-10-6-14(28-2)15(29-3)8-11(10)20/h4-6,8H,7,9H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide has a molecular weight of 475.26 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is sourced from PubChem (CID 26311942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).