2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide

C24H22ClN3O — CID 20877405

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1C
InChIInChI=1S/C24H22ClN3O/c1-15-8-7-11-21(16(15)2)26-24(29)17(3)28-22-13-12-19(25)14-20(22)23(27-28)18-9-5-4-6-10-18/h4-14,17H,1-3H3,(H,26,29)
InChIKeyJSZNJLHETONTKM-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.17
Rot. Bonds4

About 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide

2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 20877405) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID20877405
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1C
InChIInChI=1S/C24H22ClN3O/c1-15-8-7-11-21(16(15)2)26-24(29)17(3)28-22-13-12-19(25)14-20(22)23(27-28)18-9-5-4-6-10-18/h4-14,17H,1-3H3,(H,26,29)
InChIKeyJSZNJLHETONTKM-UHFFFAOYSA-N
XLogP6.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 129422166
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 20877468
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 20877446
2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 20877476
(2S)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 92902750
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide
CID 94086831
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
CID 21494216
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
CID 3680613
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide (CID 20877405) is 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c1C.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is JSZNJLHETONTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-15-8-7-11-21(16(15)2)26-24(29)17(3)28-22-13-12-19(25)14-20(22)23(27-28)18-9-5-4-6-10-18/h4-14,17H,1-3H3,(H,26,29).
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 403.91 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 20877405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).