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

C17H17BrFNO2 — CID 1299276

IUPACN-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H17BrFNO2/c1-10-6-11(2)12(3)16(7-10)22-9-17(21)20-15-5-4-13(18)8-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyDBZIZKZWNVTZSZ-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.53
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 1299276) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID1299276
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C17H17BrFNO2/c1-10-6-11(2)12(3)16(7-10)22-9-17(21)20-15-5-4-13(18)8-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyDBZIZKZWNVTZSZ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 1299276) is N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is DBZIZKZWNVTZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-10-6-11(2)12(3)16(7-10)22-9-17(21)20-15-5-4-13(18)8-14(15)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)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 N-(4-bromo-2-fluorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 1299276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).