N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H12BrF3N2O — CID 78914907

IUPACN-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H12BrF3N2O/c1-7-2-3-9(8(12)4-7)17-10(18)5-16-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyQUMCLVJCGCGPHN-UHFFFAOYSA-N
MW325.13 g/mol
LogP2.85
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914907) has the molecular formula C11H12BrF3N2O and a molecular weight of 325.13 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914907
Molecular FormulaC11H12BrF3N2O
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H12BrF3N2O/c1-7-2-3-9(8(12)4-7)17-10(18)5-16-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyQUMCLVJCGCGPHN-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914656
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957842
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
4-bromo-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79261272
2-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223180
N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 108998576
N'-(2-bromo-4-methylphenyl)-2-methylbutanediamide
CID 82124662

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914907) is N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1ccc(NC(=O)CNCC(F)(F)F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QUMCLVJCGCGPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O/c1-7-2-3-9(8(12)4-7)17-10(18)5-16-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 325.13 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).