3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide

C16H10BrCl2N3O — CID 132992182

IUPAC3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1c(Cl)ccc(Br)c1Cl
InChIInChI=1S/C16H10BrCl2N3O/c17-10-6-7-11(18)14(15(10)19)16(23)21-12-4-1-2-5-13(12)22-9-3-8-20-22/h1-9H,(H,21,23)
InChIKeyOVKNKJZFNMXKCK-UHFFFAOYSA-N
MW411.09 g/mol
LogP5.19
Rot. Bonds3

About 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide

3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide (PubChem CID 132992182) has the molecular formula C16H10BrCl2N3O and a molecular weight of 411.09 g/mol. Its IUPAC name is 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
PubChem CID132992182
Molecular FormulaC16H10BrCl2N3O
Molecular Weight411.09 g/mol
Exact Mass408.94
IUPAC Name3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1c(Cl)ccc(Br)c1Cl
InChIInChI=1S/C16H10BrCl2N3O/c17-10-6-7-11(18)14(15(10)19)16(23)21-12-4-1-2-5-13(12)22-9-3-8-20-22/h1-9H,(H,21,23)
InChIKeyOVKNKJZFNMXKCK-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.09
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 103874264
6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 61041740
6-oxo-N-(2-pyrazol-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61276124
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
CID 55932053
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
N-(2-pyrazol-1-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55930525
5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 118984810
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
3-bromo-N-(5-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 60793172

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide (CID 132992182) is 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide is O=C(Nc1ccccc1-n1cccn1)c1c(Cl)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
The InChIKey is OVKNKJZFNMXKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N3O/c17-10-6-7-11(18)14(15(10)19)16(23)21-12-4-1-2-5-13(12)22-9-3-8-20-22/h1-9H,(H,21,23).
What are the key properties of 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide has a molecular weight of 411.09 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 132992182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).