3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide

C10H9BrF3NO2 — CID 112683678

IUPAC3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCBr)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c11-6-5-9(16)15-7-3-1-2-4-8(7)17-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyJMFFHENHYFLSRH-UHFFFAOYSA-N
MW312.09 g/mol
LogP3.31
Rot. Bonds4

About 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide

3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 112683678) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID112683678
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCBr)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c11-6-5-9(16)15-7-3-1-2-4-8(7)17-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyJMFFHENHYFLSRH-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-6-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 43529543
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471
2-(2-aminoethoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 79463675
2-(2-phenoxyethoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 55759707
2-(3-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 24525372
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 17415232
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
2-(4-methylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202525
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide (CID 112683678) is 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide is O=C(CCBr)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is JMFFHENHYFLSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c11-6-5-9(16)15-7-3-1-2-4-8(7)17-10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide?
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 312.09 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 112683678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).