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

C14H18BrF2NO2 — CID 103212849

IUPACN-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(CBr)(NC(=O)CCOCC(F)F)c1ccccc1
InChIInChI=1S/C14H18BrF2NO2/c1-14(10-15,11-5-3-2-4-6-11)18-13(19)7-8-20-9-12(16)17/h2-6,12H,7-10H2,1H3,(H,18,19)
InChIKeyMEOSIERXFDLVBA-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.08
Rot. Bonds8

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

N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103212849) has the molecular formula C14H18BrF2NO2 and a molecular weight of 350.20 g/mol. Its IUPAC name is N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103212849
Molecular FormulaC14H18BrF2NO2
Molecular Weight350.20 g/mol
Exact Mass349.05
IUPAC NameN-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(CBr)(NC(=O)CCOCC(F)F)c1ccccc1
InChIInChI=1S/C14H18BrF2NO2/c1-14(10-15,11-5-3-2-4-6-11)18-13(19)7-8-20-9-12(16)17/h2-6,12H,7-10H2,1H3,(H,18,19)
InChIKeyMEOSIERXFDLVBA-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103212849) is N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide is CC(CBr)(NC(=O)CCOCC(F)F)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is MEOSIERXFDLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO2/c1-14(10-15,11-5-3-2-4-6-11)18-13(19)7-8-20-9-12(16)17/h2-6,12H,7-10H2,1H3,(H,18,19).
What are the key properties of N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-bromo-2-phenylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 350.20 g/mol, XLogP of 3.08, 8 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-difluoroethoxy)propanamide is sourced from PubChem (CID 103212849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).