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

C17H13Cl2N3O — CID 132992183

IUPAC2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCc1ccc(Cl)c(C(=O)Nc2ccccc2-n2cccn2)c1Cl
InChIInChI=1S/C17H13Cl2N3O/c1-11-7-8-12(18)15(16(11)19)17(23)21-13-5-2-3-6-14(13)22-10-4-9-20-22/h2-10H,1H3,(H,21,23)
InChIKeyLILFTXOCBXWNFX-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.74
Rot. Bonds3

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

2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide (PubChem CID 132992183) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
PubChem CID132992183
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCc1ccc(Cl)c(C(=O)Nc2ccccc2-n2cccn2)c1Cl
InChIInChI=1S/C17H13Cl2N3O/c1-11-7-8-12(18)15(16(11)19)17(23)21-13-5-2-3-6-14(13)22-10-4-9-20-22/h2-10H,1H3,(H,21,23)
InChIKeyLILFTXOCBXWNFX-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide (CID 132992183) is 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide is Cc1ccc(Cl)c(C(=O)Nc2ccccc2-n2cccn2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
The InChIKey is LILFTXOCBXWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-11-7-8-12(18)15(16(11)19)17(23)21-13-5-2-3-6-14(13)22-10-4-9-20-22/h2-10H,1H3,(H,21,23).
What are the key properties of 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide?
2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide has a molecular weight of 346.22 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-N-(2-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 132992183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).