4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline

C15H18BrF2N3O — CID 75455987

IUPAC4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline
SMILESCCc1nnc(CN(CC(F)F)c2c(C)cc(Br)cc2C)o1
InChIInChI=1S/C15H18BrF2N3O/c1-4-13-19-20-14(22-13)8-21(7-12(17)18)15-9(2)5-11(16)6-10(15)3/h5-6,12H,4,7-8H2,1-3H3
InChIKeyHWJUYTOEEBQGBZ-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.28
Rot. Bonds6

About 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline

4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline (PubChem CID 75455987) has the molecular formula C15H18BrF2N3O and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline
PubChem CID75455987
Molecular FormulaC15H18BrF2N3O
Molecular Weight374.23 g/mol
Exact Mass373.06
IUPAC Name4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline
SMILESCCc1nnc(CN(CC(F)F)c2c(C)cc(Br)cc2C)o1
InChIInChI=1S/C15H18BrF2N3O/c1-4-13-19-20-14(22-13)8-21(7-12(17)18)15-9(2)5-11(16)6-10(15)3/h5-6,12H,4,7-8H2,1-3H3
InChIKeyHWJUYTOEEBQGBZ-UHFFFAOYSA-N
XLogP4.28
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline (CID 75455987) is 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline is CCc1nnc(CN(CC(F)F)c2c(C)cc(Br)cc2C)o1.
What is the InChIKey of 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline?
The InChIKey is HWJUYTOEEBQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2N3O/c1-4-13-19-20-14(22-13)8-21(7-12(17)18)15-9(2)5-11(16)6-10(15)3/h5-6,12H,4,7-8H2,1-3H3.
What are the key properties of 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline?
4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline has a molecular weight of 374.23 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-difluoroethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 75455987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).