5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide

C13H12BrF2N3O2 — CID 19399689

IUPAC5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cc(Br)ccc2OC(F)F)cnn1C
InChIInChI=1S/C13H12BrF2N3O2/c1-7-10(6-17-19(7)2)18-12(20)9-5-8(14)3-4-11(9)21-13(15)16/h3-6,13H,1-2H3,(H,18,20)
InChIKeyXKGGOXYHXZUVLF-UHFFFAOYSA-N
MW360.16 g/mol
LogP3.34
Rot. Bonds4

About 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide

5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide (PubChem CID 19399689) has the molecular formula C13H12BrF2N3O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
PubChem CID19399689
Molecular FormulaC13H12BrF2N3O2
Molecular Weight360.16 g/mol
Exact Mass359.01
IUPAC Name5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2cc(Br)ccc2OC(F)F)cnn1C
InChIInChI=1S/C13H12BrF2N3O2/c1-7-10(6-17-19(7)2)18-12(20)9-5-8(14)3-4-11(9)21-13(15)16/h3-6,13H,1-2H3,(H,18,20)
InChIKeyXKGGOXYHXZUVLF-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393442
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-methylbenzamide
CID 59703438
5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292362
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
5-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(difluoromethoxy)benzamide
CID 19338473
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512452
N-(4-bromo-2-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 26362983
5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393012
5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 54784461
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide (CID 19399689) is 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2cc(Br)ccc2OC(F)F)cnn1C.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide?
The InChIKey is XKGGOXYHXZUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O2/c1-7-10(6-17-19(7)2)18-12(20)9-5-8(14)3-4-11(9)21-13(15)16/h3-6,13H,1-2H3,(H,18,20).
What are the key properties of 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide?
5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide has a molecular weight of 360.16 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 19399689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).