N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C12H13BrF3NO2 — CID 86835426

IUPACN-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(Br)ccc1N(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-8-5-9(13)3-4-10(8)17(2)11(18)6-19-7-12(14,15)16/h3-5H,6-7H2,1-2H3
InChIKeyUMBMTMVIOBXMAK-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.30
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86835426) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86835426
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC NameN-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(Br)ccc1N(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-8-5-9(13)3-4-10(8)17(2)11(18)6-19-7-12(14,15)16/h3-5H,6-7H2,1-2H3
InChIKeyUMBMTMVIOBXMAK-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 86835426) is N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is Cc1cc(Br)ccc1N(C)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is UMBMTMVIOBXMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-8-5-9(13)3-4-10(8)17(2)11(18)6-19-7-12(14,15)16/h3-5H,6-7H2,1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 340.14 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86835426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).