N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide

C14H17BrF3NO — CID 107492581

IUPACN-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C(=O)N(CCBr)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17BrF3NO/c1-13(2,11-6-4-3-5-7-11)12(20)19(9-8-15)10-14(16,17)18/h3-7H,8-10H2,1-2H3
InChIKeyXGYSIVFICWYOJG-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.75
Rot. Bonds5

About N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107492581) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107492581
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC NameN-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C(=O)N(CCBr)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17BrF3NO/c1-13(2,11-6-4-3-5-7-11)12(20)19(9-8-15)10-14(16,17)18/h3-7H,8-10H2,1-2H3
InChIKeyXGYSIVFICWYOJG-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493677
N-(2-bromoethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107492479
2-amino-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62488944
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methyl-2-phenylpropanamide
CID 79668566
N-(cyanomethyl)-2-methyl-2-phenyl-N-propylpropanamide
CID 61224496
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
N-(2-bromoethyl)-2-fluoro-6-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492451
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
N,2-dimethyl-2-phenyl-N-silylpropanamide
CID 173360182
N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide (CID 107492581) is N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(C(=O)N(CCBr)CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XGYSIVFICWYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-13(2,11-6-4-3-5-7-11)12(20)19(9-8-15)10-14(16,17)18/h3-7H,8-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 352.19 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107492581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).