N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C14H17BrF3NO2 — CID 103212850

IUPACN-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CBr)(NC(=O)CCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17BrF3NO2/c1-13(9-15,11-5-3-2-4-6-11)19-12(20)7-8-21-10-14(16,17)18/h2-6H,7-10H2,1H3,(H,19,20)
InChIKeyLPVYRLFQQWXLAZ-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.38
Rot. Bonds7

About N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212850) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212850
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC NameN-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CBr)(NC(=O)CCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17BrF3NO2/c1-13(9-15,11-5-3-2-4-6-11)19-12(20)7-8-21-10-14(16,17)18/h2-6H,7-10H2,1H3,(H,19,20)
InChIKeyLPVYRLFQQWXLAZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromophenyl)cyclopropyl]-3-ethoxypropanamide
CID 72004157
N-(4-bromo-3,3-difluoro-2-phenylbutan-2-yl)acetamide
CID 140319178
2-bromo-2,2-difluoro-N-(2-phenylpropan-2-yl)acetamide
CID 175477524
N-[1-(2-bromophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55581901
N-[2-(3-fluorophenyl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 56793605
N-[(2-ethylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 72004216
N-[2-(3,4-difluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
CID 72103218
N-[1-(4-bromophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208561
N-(2-bromo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212458
N-(2-bromo-1-phenylethyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212491
N-(2-bromo-1-phenylethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212492
N-(1-bromo-3-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212494

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212850) is N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(CBr)(NC(=O)CCOCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is LPVYRLFQQWXLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c1-13(9-15,11-5-3-2-4-6-11)19-12(20)7-8-21-10-14(16,17)18/h2-6H,7-10H2,1H3,(H,19,20).
What are the key properties of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 368.19 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).