N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C16H11BrF5NO — CID 123313382

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11BrF5NO/c1-6-3-8(17)4-7(2)16(6)23-10(24)5-9-11(18)13(20)15(22)14(21)12(9)19/h3-4H,5H2,1-2H3,(H,23,24)
InChIKeyJLYZYJBECWYRAY-UHFFFAOYSA-N
MW408.16 g/mol
LogP4.94
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 123313382) has the molecular formula C16H11BrF5NO and a molecular weight of 408.16 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID123313382
Molecular FormulaC16H11BrF5NO
Molecular Weight408.16 g/mol
Exact Mass406.99
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11BrF5NO/c1-6-3-8(17)4-7(2)16(6)23-10(24)5-9-11(18)13(20)15(22)14(21)12(9)19/h3-4H,5H2,1-2H3,(H,23,24)
InChIKeyJLYZYJBECWYRAY-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.16
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 60795091
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029
N-(4-bromo-2,6-dimethylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285163
5-(4-bromo-2,6-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47303447
N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
CID 103714250
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540
N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113224139
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 123313382) is N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is Cc1cc(Br)cc(C)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is JLYZYJBECWYRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF5NO/c1-6-3-8(17)4-7(2)16(6)23-10(24)5-9-11(18)13(20)15(22)14(21)12(9)19/h3-4H,5H2,1-2H3,(H,23,24).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 408.16 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 123313382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).