N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide

C9H6BrF4NO — CID 19810893

IUPACN-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(F)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H6BrF4NO/c1-4(16)15-8-6(9(12,13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,15,16)
InChIKeyOSRONCYXKVKEFM-UHFFFAOYSA-N
MW300.05 g/mol
LogP3.57
Rot. Bonds1

About N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide

N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 19810893) has the molecular formula C9H6BrF4NO and a molecular weight of 300.05 g/mol. Its IUPAC name is N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID19810893
Molecular FormulaC9H6BrF4NO
Molecular Weight300.05 g/mol
Exact Mass298.96
IUPAC NameN-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(F)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H6BrF4NO/c1-4(16)15-8-6(9(12,13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,15,16)
InChIKeyOSRONCYXKVKEFM-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-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 59636055
N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 4737648
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
methyl 2-acetamido-4-bromo-3-fluoro-5-(trifluoromethyl)benzoate
CID 164568816
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742
1-[5-bromo-2,3-bis(trifluoromethyl)phenyl]ethanone
CID 118809446
N-(2,3,4,6-tetrafluorophenyl)acetamide
CID 130006271
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 131354810
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide (CID 19810893) is N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1c(F)cc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OSRONCYXKVKEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF4NO/c1-4(16)15-8-6(9(12,13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,15,16).
What are the key properties of N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide?
N-[4-bromo-2-fluoro-6-(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-2-fluoro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 19810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).