N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C16H13BrF3NO2 — CID 7467598

IUPACN-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H13BrF3NO2/c1-10-8-12(4-7-14(10)17)21-15(22)9-23-13-5-2-11(3-6-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyZMSPOUNPMOZQFG-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.79
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 7467598) has the molecular formula C16H13BrF3NO2 and a molecular weight of 388.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID7467598
Molecular FormulaC16H13BrF3NO2
Molecular Weight388.18 g/mol
Exact Mass387.01
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H13BrF3NO2/c1-10-8-12(4-7-14(10)17)21-15(22)9-23-13-5-2-11(3-6-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyZMSPOUNPMOZQFG-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709037
N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide
CID 7818077
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 7467598) is N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZMSPOUNPMOZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO2/c1-10-8-12(4-7-14(10)17)21-15(22)9-23-13-5-2-11(3-6-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 388.18 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 7467598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).