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

C13H12BrF2N3O2 — CID 19292362

IUPAC5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(Br)ccc2OC(F)F)cn1
InChIInChI=1S/C13H12BrF2N3O2/c1-19-7-8(6-18-19)5-17-12(20)10-4-9(14)2-3-11(10)21-13(15)16/h2-4,6-7,13H,5H2,1H3,(H,17,20)
InChIKeyFYCGWOKSPBYULA-UHFFFAOYSA-N
MW360.16 g/mol
LogP2.71
Rot. Bonds5

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

5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 19292362) has the molecular formula C13H12BrF2N3O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID19292362
Molecular FormulaC13H12BrF2N3O2
Molecular Weight360.16 g/mol
Exact Mass359.01
IUPAC Name5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(Br)ccc2OC(F)F)cn1
InChIInChI=1S/C13H12BrF2N3O2/c1-19-7-8(6-18-19)5-17-12(20)10-4-9(14)2-3-11(10)21-13(15)16/h2-4,6-7,13H,5H2,1H3,(H,17,20)
InChIKeyFYCGWOKSPBYULA-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336834
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide
CID 19333186
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399689
5-bromo-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(difluoromethoxy)benzamide
CID 19338473
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107027466
5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393442
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
CID 19283114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 19292362) is 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2cc(Br)ccc2OC(F)F)cn1.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is FYCGWOKSPBYULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O2/c1-19-7-8(6-18-19)5-17-12(20)10-4-9(14)2-3-11(10)21-13(15)16/h2-4,6-7,13H,5H2,1H3,(H,17,20).
What are the key properties of 5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 360.16 g/mol, XLogP of 2.71, 5 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-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19292362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).