N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide

C16H15BrFNO2 — CID 1006293

IUPACN-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-7-6-12(17)8-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMMJQNLLOTGJRKI-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.22
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 1006293) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID1006293
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-7-6-12(17)8-13(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMMJQNLLOTGJRKI-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.22
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-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide (CID 1006293) is N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is MMJQNLLOTGJRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-7-6-12(17)8-13(14)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 352.20 g/mol, XLogP of 4.22, 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-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 1006293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).