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

C16H11Cl2N3O — CID 132562202

IUPAC2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-11-5-3-6-12(18)15(11)16(22)20-13-7-1-2-8-14(13)21-10-4-9-19-21/h1-10H,(H,20,22)
InChIKeyFJOSETMTYSGWHQ-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.43
Rot. Bonds3

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

2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide (PubChem CID 132562202) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
PubChem CID132562202
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-11-5-3-6-12(18)15(11)16(22)20-13-7-1-2-8-14(13)21-10-4-9-19-21/h1-10H,(H,20,22)
InChIKeyFJOSETMTYSGWHQ-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide (CID 132562202) is 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide is O=C(Nc1ccccc1-n1cccn1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
The InChIKey is FJOSETMTYSGWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-11-5-3-6-12(18)15(11)16(22)20-13-7-1-2-8-14(13)21-10-4-9-19-21/h1-10H,(H,20,22).
What are the key properties of 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide?
2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide has a molecular weight of 332.19 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 132562202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).