N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide

C10H6BrF6NO — CID 23275300

IUPACN-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Br
InChIInChI=1S/C10H6BrF6NO/c1-4(19)18-7-3-5(9(12,13)14)2-6(8(7)11)10(15,16)17/h2-3H,1H3,(H,18,19)
InChIKeyUGFZLZSWFXVZFM-UHFFFAOYSA-N
MW350.06 g/mol
LogP4.45
Rot. Bonds1

About N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide

N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 23275300) has the molecular formula C10H6BrF6NO and a molecular weight of 350.06 g/mol. Its IUPAC name is N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID23275300
Molecular FormulaC10H6BrF6NO
Molecular Weight350.06 g/mol
Exact Mass348.95
IUPAC NameN-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Br
InChIInChI=1S/C10H6BrF6NO/c1-4(19)18-7-3-5(9(12,13)14)2-6(8(7)11)10(15,16)17/h2-3H,1H3,(H,18,19)
InChIKeyUGFZLZSWFXVZFM-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.06
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
methyl 2-bromo-3,5-bis(trifluoromethyl)benzoate
CID 134645650
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 59636055
2-bromo-3,5-bis(trifluoromethyl)benzamide
CID 134640617
methyl 2-acetamido-4-bromo-3-fluoro-5-(trifluoromethyl)benzoate
CID 164568816
1-amino-3-[2-hydroxy-3,5-bis(trifluoromethyl)phenyl]urea
CID 171837231
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
4-[2-chloro-3,5-bis(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 42645105
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 114042935

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide (CID 23275300) is N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Br.
What is the InChIKey of N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is UGFZLZSWFXVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF6NO/c1-4(19)18-7-3-5(9(12,13)14)2-6(8(7)11)10(15,16)17/h2-3H,1H3,(H,18,19).
What are the key properties of N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide?
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 350.06 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 23275300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).