5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide

C13H11BrClF2N3O2 — CID 19283415

IUPAC5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C13H11BrClF2N3O2/c14-8-1-2-11(22-13(16)17)10(5-8)12(21)18-3-4-20-7-9(15)6-19-20/h1-2,5-7,13H,3-4H2,(H,18,21)
InChIKeyQQHVWPAPOKFBGU-UHFFFAOYSA-N
MW394.60 g/mol
LogP3.33
Rot. Bonds6

About 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide

5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide (PubChem CID 19283415) has the molecular formula C13H11BrClF2N3O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
PubChem CID19283415
Molecular FormulaC13H11BrClF2N3O2
Molecular Weight394.60 g/mol
Exact Mass392.97
IUPAC Name5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C13H11BrClF2N3O2/c14-8-1-2-11(22-13(16)17)10(5-8)12(21)18-3-4-20-7-9(15)6-19-20/h1-2,5-7,13H,3-4H2,(H,18,21)
InChIKeyQQHVWPAPOKFBGU-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide (CID 19283415) is 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide is O=C(NCCn1cc(Cl)cn1)c1cc(Br)ccc1OC(F)F.
What is the InChIKey of 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
The InChIKey is QQHVWPAPOKFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClF2N3O2/c14-8-1-2-11(22-13(16)17)10(5-8)12(21)18-3-4-20-7-9(15)6-19-20/h1-2,5-7,13H,3-4H2,(H,18,21).
What are the key properties of 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide has a molecular weight of 394.60 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 19283415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).