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

C18H20BrNO2 — CID 1191395

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-13-10-16(19)11-14(2)18(13)22-12-17(21)20-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyYFUCFGSWCIKRLX-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.80
Rot. Bonds6

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

2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide (PubChem CID 1191395) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide
PubChem CID1191395
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-13-10-16(19)11-14(2)18(13)22-12-17(21)20-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyYFUCFGSWCIKRLX-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide (CID 1191395) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide is Cc1cc(Br)cc(C)c1OCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide?
The InChIKey is YFUCFGSWCIKRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13-10-16(19)11-14(2)18(13)22-12-17(21)20-9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide has a molecular weight of 362.27 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1191395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).