1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide

C22H17N3O2 — CID 56676775

IUPAC1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide
SMILESCc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C22H17N3O2/c1-15-8-7-9-16(14-15)22(27)25-19-13-6-5-12-18(19)20(24-25)21(26)23-17-10-3-2-4-11-17/h2-14H,1H3,(H,23,26)
InChIKeyHQOZHIXUCOLRTC-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.29
Rot. Bonds3

About 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide

1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide (PubChem CID 56676775) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide
PubChem CID56676775
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide
SMILESCc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C22H17N3O2/c1-15-8-7-9-16(14-15)22(27)25-19-13-6-5-12-18(19)20(24-25)21(26)23-17-10-3-2-4-11-17/h2-14H,1H3,(H,23,26)
InChIKeyHQOZHIXUCOLRTC-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide (CID 56676775) is 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide is Cc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1.
What is the InChIKey of 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide?
The InChIKey is HQOZHIXUCOLRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-8-7-9-16(14-15)22(27)25-19-13-6-5-12-18(19)20(24-25)21(26)23-17-10-3-2-4-11-17/h2-14H,1H3,(H,23,26).
What are the key properties of 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide?
1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzoyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56676775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).