4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide

C24H15Cl2N3O2 — CID 172876460

IUPAC4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2ccc(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C24H15Cl2N3O2/c25-17-7-10-20(19(26)14-17)27-24(30)15-5-8-18(9-6-15)29-12-11-21(28-29)23-13-16-3-1-2-4-22(16)31-23/h1-14H,(H,27,30)
InChIKeyRRKXFNARJFYMOD-UHFFFAOYSA-N
MW448.31 g/mol
LogP6.84
Rot. Bonds4

About 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide

4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide (PubChem CID 172876460) has the molecular formula C24H15Cl2N3O2 and a molecular weight of 448.31 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide
PubChem CID172876460
Molecular FormulaC24H15Cl2N3O2
Molecular Weight448.31 g/mol
Exact Mass447.05
IUPAC Name4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2ccc(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C24H15Cl2N3O2/c25-17-7-10-20(19(26)14-17)27-24(30)15-5-8-18(9-6-15)29-12-11-21(28-29)23-13-16-3-1-2-4-22(16)31-23/h1-14H,(H,27,30)
InChIKeyRRKXFNARJFYMOD-UHFFFAOYSA-N
XLogP6.84
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.31
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide (CID 172876460) is 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2ccc(-c3cc4ccccc4o3)n2)cc1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide?
The InChIKey is RRKXFNARJFYMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O2/c25-17-7-10-20(19(26)14-17)27-24(30)15-5-8-18(9-6-15)29-12-11-21(28-29)23-13-16-3-1-2-4-22(16)31-23/h1-14H,(H,27,30).
What are the key properties of 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide?
4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide has a molecular weight of 448.31 g/mol, XLogP of 6.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-(2,4-dichlorophenyl)benzamide is sourced from PubChem (CID 172876460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).