N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide

C9H6BrF4NO — CID 59636055

IUPACN-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H6BrF4NO/c1-4(16)15-5-2-6(9(12,13)14)8(10)7(11)3-5/h2-3H,1H3,(H,15,16)
InChIKeyLEYJBRUQNUZQJD-UHFFFAOYSA-N
MW300.05 g/mol
LogP3.57
Rot. Bonds1

About N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide

N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 59636055) has the molecular formula C9H6BrF4NO and a molecular weight of 300.05 g/mol. Its IUPAC name is N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID59636055
Molecular FormulaC9H6BrF4NO
Molecular Weight300.05 g/mol
Exact Mass298.96
IUPAC NameN-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H6BrF4NO/c1-4(16)15-5-2-6(9(12,13)14)8(10)7(11)3-5/h2-3H,1H3,(H,15,16)
InChIKeyLEYJBRUQNUZQJD-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.05
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 23275300
methyl 2-acetamido-4-bromo-3-fluoro-5-(trifluoromethyl)benzoate
CID 164568816
N-[4-[(4-acetamido-2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]acetamide
CID 102314121
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 46604266
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
CID 131150225
methyl 2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112616812
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide (CID 59636055) is N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(F)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LEYJBRUQNUZQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF4NO/c1-4(16)15-5-2-6(9(12,13)14)8(10)7(11)3-5/h2-3H,1H3,(H,15,16).
What are the key properties of N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide?
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 300.05 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 59636055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).