1-benzoyl-N-phenylindazole-3-carboxamide

C21H15N3O2 — CID 56676773

IUPAC1-benzoyl-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C21H15N3O2/c25-20(22-16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)24(23-19)21(26)15-9-3-1-4-10-15/h1-14H,(H,22,25)
InChIKeyJFOMBLRSRUFMKX-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.98
Rot. Bonds3

About 1-benzoyl-N-phenylindazole-3-carboxamide

1-benzoyl-N-phenylindazole-3-carboxamide (PubChem CID 56676773) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-benzoyl-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-phenylindazole-3-carboxamide
PubChem CID56676773
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name1-benzoyl-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C21H15N3O2/c25-20(22-16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)24(23-19)21(26)15-9-3-1-4-10-15/h1-14H,(H,22,25)
InChIKeyJFOMBLRSRUFMKX-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzoyl-N-phenylindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-benzoyl-N-phenylindazole-3-carboxamide (CID 56676773) is 1-benzoyl-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzoyl-N-phenylindazole-3-carboxamide?
The InChIKey is JFOMBLRSRUFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-20(22-16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)24(23-19)21(26)15-9-3-1-4-10-15/h1-14H,(H,22,25).
What are the key properties of 1-benzoyl-N-phenylindazole-3-carboxamide?
1-benzoyl-N-phenylindazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56676773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).