2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide

C11H10BrF3N2O2 — CID 114042935

IUPAC2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H10BrF3N2O2/c1-6(18)16-5-10(19)17-9-4-7(11(13,14)15)2-3-8(9)12/h2-4H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyGHUZRWRUYNNIFJ-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.54
Rot. Bonds3

About 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide

2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 114042935) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
PubChem CID114042935
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC Name2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H10BrF3N2O2/c1-6(18)16-5-10(19)17-9-4-7(11(13,14)15)2-3-8(9)12/h2-4H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyGHUZRWRUYNNIFJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-(2-bromo-5-fluorophenyl)acetamide
CID 103753391
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 114042936
N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
3-[2-bromo-5-(trifluoromethyl)anilino]butanoic acid
CID 114042821
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-[[2-(oxidoamino)-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143086086
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide (CID 114042935) is 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide is CC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GHUZRWRUYNNIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c1-6(18)16-5-10(19)17-9-4-7(11(13,14)15)2-3-8(9)12/h2-4H,5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide?
2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 339.11 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 114042935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).