4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide

C13H12BrF2N3O — CID 115686657

IUPAC4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H12BrF2N3O/c14-9-7-10(15)12(11(16)8-9)13(20)17-3-1-5-19-6-2-4-18-19/h2,4,6-8H,1,3,5H2,(H,17,20)
InChIKeyGUHUMMRTSZSUFE-UHFFFAOYSA-N
MW344.16 g/mol
LogP2.74
Rot. Bonds5

About 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide

4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 115686657) has the molecular formula C13H12BrF2N3O and a molecular weight of 344.16 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID115686657
Molecular FormulaC13H12BrF2N3O
Molecular Weight344.16 g/mol
Exact Mass343.01
IUPAC Name4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H12BrF2N3O/c14-9-7-10(15)12(11(16)8-9)13(20)17-3-1-5-19-6-2-4-18-19/h2,4,6-8H,1,3,5H2,(H,17,20)
InChIKeyGUHUMMRTSZSUFE-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
CID 37394280
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 107872526
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37394488
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37392691
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111978684

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide (CID 115686657) is 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide is O=C(NCCCn1cccn1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is GUHUMMRTSZSUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3O/c14-9-7-10(15)12(11(16)8-9)13(20)17-3-1-5-19-6-2-4-18-19/h2,4,6-8H,1,3,5H2,(H,17,20).
What are the key properties of 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 344.16 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 115686657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).