5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide

C14H13Br2F2N3O2 — CID 19333186

IUPAC5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide
SMILESCCn1cc(Br)c(CNC(=O)c2cc(Br)ccc2OC(F)F)n1
InChIInChI=1S/C14H13Br2F2N3O2/c1-2-21-7-10(16)11(20-21)6-19-13(22)9-5-8(15)3-4-12(9)23-14(17)18/h3-5,7,14H,2,6H2,1H3,(H,19,22)
InChIKeyJAIXSXOINCZQBA-UHFFFAOYSA-N
MW453.08 g/mol
LogP3.96
Rot. Bonds6

About 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide

5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide (PubChem CID 19333186) has the molecular formula C14H13Br2F2N3O2 and a molecular weight of 453.08 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide
PubChem CID19333186
Molecular FormulaC14H13Br2F2N3O2
Molecular Weight453.08 g/mol
Exact Mass450.93
IUPAC Name5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide
SMILESCCn1cc(Br)c(CNC(=O)c2cc(Br)ccc2OC(F)F)n1
InChIInChI=1S/C14H13Br2F2N3O2/c1-2-21-7-10(16)11(20-21)6-19-13(22)9-5-8(15)3-4-12(9)23-14(17)18/h3-5,7,14H,2,6H2,1H3,(H,19,22)
InChIKeyJAIXSXOINCZQBA-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.08
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292362
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-iodobenzamide
CID 19333078
5-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(difluoromethoxy)benzamide
CID 19338473
5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393442
3-[5-bromo-2-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carbaldehyde
CID 104653628
4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336834
5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
CID 19283114
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19333252
5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393012
5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399689
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2-chlorophenoxy)methyl]benzamide
CID 19333126

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide (CID 19333186) is 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide is CCn1cc(Br)c(CNC(=O)c2cc(Br)ccc2OC(F)F)n1.
What is the InChIKey of 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide?
The InChIKey is JAIXSXOINCZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2F2N3O2/c1-2-21-7-10(16)11(20-21)6-19-13(22)9-5-8(15)3-4-12(9)23-14(17)18/h3-5,7,14H,2,6H2,1H3,(H,19,22).
What are the key properties of 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide?
5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide has a molecular weight of 453.08 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 19333186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).