4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide

C12H12BrF2NO3 — CID 154636486

IUPAC4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])Oc1cc(Br)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C12H12BrF2NO3/c1-18-8-4-6(13)5-9(19-12(14)15)10(8)11(17)16-7-2-3-7/h4-5,7,12H,2-3H2,1H3,(H,16,17)/i1D3
InChIKeyBENAXIQRUYKVHZ-FIBGUPNXSA-N
MW339.15 g/mol
LogP2.95
Rot. Bonds6

About 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide

4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide (PubChem CID 154636486) has the molecular formula C12H12BrF2NO3 and a molecular weight of 339.15 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide
PubChem CID154636486
Molecular FormulaC12H12BrF2NO3
Molecular Weight339.15 g/mol
Exact Mass338.02
IUPAC Name4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])Oc1cc(Br)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C12H12BrF2NO3/c1-18-8-4-6(13)5-9(19-12(14)15)10(8)11(17)16-7-2-3-7/h4-5,7,12H,2-3H2,1H3,(H,16,17)/i1D3
InChIKeyBENAXIQRUYKVHZ-FIBGUPNXSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide?
The IUPAC name of 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide (CID 154636486) is 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide is [2H]C([2H])([2H])Oc1cc(Br)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide?
The InChIKey is BENAXIQRUYKVHZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H12BrF2NO3/c1-18-8-4-6(13)5-9(19-12(14)15)10(8)11(17)16-7-2-3-7/h4-5,7,12H,2-3H2,1H3,(H,16,17)/i1D3.
What are the key properties of 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide?
4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide has a molecular weight of 339.15 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-(trideuteriomethoxy)benzamide is sourced from PubChem (CID 154636486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).