3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide

C24H23N3O — CID 155516692

IUPAC3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C24H23N3O/c1-15(2)17-5-4-6-21(11-17)26-24(28)19-8-7-16(3)22(12-19)18-9-10-20-14-25-27-23(20)13-18/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyUEMCXDRGXXMDCL-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.91
Rot. Bonds4

About 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide

3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 155516692) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide
PubChem CID155516692
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C24H23N3O/c1-15(2)17-5-4-6-21(11-17)26-24(28)19-8-7-16(3)22(12-19)18-9-10-20-14-25-27-23(20)13-18/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyUEMCXDRGXXMDCL-UHFFFAOYSA-N
XLogP5.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide (CID 155516692) is 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is UEMCXDRGXXMDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-15(2)17-5-4-6-21(11-17)26-24(28)19-8-7-16(3)22(12-19)18-9-10-20-14-25-27-23(20)13-18/h4-15H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide?
3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-yl)-4-methyl-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 155516692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).