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

C12H13BrF3NO2 — CID 114327416

IUPAC2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(C)(Br)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-11(2,13)10(18)17-7-8-5-3-4-6-9(8)19-12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyODABHEYTLBWJRK-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.37
Rot. Bonds4

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

2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 114327416) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID114327416
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(C)(Br)C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-11(2,13)10(18)17-7-8-5-3-4-6-9(8)19-12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyODABHEYTLBWJRK-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.37
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

2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 114327416) is 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is CC(C)(Br)C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is ODABHEYTLBWJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-11(2,13)10(18)17-7-8-5-3-4-6-9(8)19-12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 340.14 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 114327416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).