2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C19H20BrFN2O3 — CID 31127033

IUPAC2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C19H20BrFN2O3/c1-11-6-12(2)19(13(3)7-11)23-17(24)9-22-18(25)10-26-16-5-4-14(21)8-15(16)20/h4-8H,9-10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFYNJNJVMBJDNGN-UHFFFAOYSA-N
MW423.28 g/mol
LogP3.65
Rot. Bonds6

About 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 31127033) has the molecular formula C19H20BrFN2O3 and a molecular weight of 423.28 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID31127033
Molecular FormulaC19H20BrFN2O3
Molecular Weight423.28 g/mol
Exact Mass422.06
IUPAC Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)COc2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C19H20BrFN2O3/c1-11-6-12(2)19(13(3)7-11)23-17(24)9-22-18(25)10-26-16-5-4-14(21)8-15(16)20/h4-8H,9-10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyFYNJNJVMBJDNGN-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 34648970
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397452
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-amino-4-fluorobenzoate
CID 27998134
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 31127033) is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(F)cc2Br)c(C)c1.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is FYNJNJVMBJDNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3/c1-11-6-12(2)19(13(3)7-11)23-17(24)9-22-18(25)10-26-16-5-4-14(21)8-15(16)20/h4-8H,9-10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 423.28 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 31127033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).