2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide

C17H17BrFNO2 — CID 4650894

IUPAC2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2F)c(C)c(C)c1Br
InChIInChI=1S/C17H17BrFNO2/c1-10-8-15(11(2)12(3)17(10)18)22-9-16(21)20-14-7-5-4-6-13(14)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyFRZQHIRHNZLSHG-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide

2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide (PubChem CID 4650894) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide
PubChem CID4650894
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2F)c(C)c(C)c1Br
InChIInChI=1S/C17H17BrFNO2/c1-10-8-15(11(2)12(3)17(10)18)22-9-16(21)20-14-7-5-4-6-13(14)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyFRZQHIRHNZLSHG-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5201161
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 114415878
2-(2-chloro-5-methylphenoxy)-N-(2-fluorophenyl)acetamide
CID 7642832
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
2-[(2-bromo-3-pyridinyl)oxy]-N-(2-fluorophenyl)acetamide
CID 65102015
N-(2-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558525
3-bromo-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 45447437
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide (CID 4650894) is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide is Cc1cc(OCC(=O)Nc2ccccc2F)c(C)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide?
The InChIKey is FRZQHIRHNZLSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-10-8-15(11(2)12(3)17(10)18)22-9-16(21)20-14-7-5-4-6-13(14)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide?
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide has a molecular weight of 366.23 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4650894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).