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

C10H9BrF3NO — CID 67238670

IUPACN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6(16)15-5-7-2-3-8(11)4-9(7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyLLWWUCGLSVQAIT-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.10
Rot. Bonds2

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

N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 67238670) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID67238670
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6(16)15-5-7-2-3-8(11)4-9(7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyLLWWUCGLSVQAIT-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2824953
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Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-[3-(3-bromophenyl)propyl]acetamide
CID 10682476
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703
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CID 24826042
N-(4-Bromobenzyl)Acrylamide
CID 57251115
N-(3-bromobenzyl)-2,2-dimethylbutanamide
CID 62679367
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
CID 556297
N-(4-Bromophenethyl)-2,2,2-trifluoroacetamide
CID 1518036
N-[1-(3-bromophenyl)propyl]acetamide
CID 2834229
N-[1-(4-bromophenyl)ethyl]propanamide
CID 2854151

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 67238670) is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is LLWWUCGLSVQAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6(16)15-5-7-2-3-8(11)4-9(7)10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide?
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 296.09 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 67238670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).