1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide

C21H14Cl2FN3O — CID 130230203

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H14Cl2FN3O/c22-14-10-9-13(16(23)11-14)12-27-19-8-4-1-5-15(19)20(26-27)21(28)25-18-7-3-2-6-17(18)24/h1-11H,12H2,(H,25,28)
InChIKeyHVROETUKFTYRDA-UHFFFAOYSA-N
MW414.27 g/mol
LogP5.78
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide (PubChem CID 130230203) has the molecular formula C21H14Cl2FN3O and a molecular weight of 414.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide
PubChem CID130230203
Molecular FormulaC21H14Cl2FN3O
Molecular Weight414.27 g/mol
Exact Mass413.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H14Cl2FN3O/c22-14-10-9-13(16(23)11-14)12-27-19-8-4-1-5-15(19)20(26-27)21(28)25-18-7-3-2-6-17(18)24/h1-11H,12H2,(H,25,28)
InChIKeyHVROETUKFTYRDA-UHFFFAOYSA-N
XLogP5.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide (CID 130230203) is 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide is O=C(Nc1ccccc1F)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide?
The InChIKey is HVROETUKFTYRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O/c22-14-10-9-13(16(23)11-14)12-27-19-8-4-1-5-15(19)20(26-27)21(28)25-18-7-3-2-6-17(18)24/h1-11H,12H2,(H,25,28).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide has a molecular weight of 414.27 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide is sourced from PubChem (CID 130230203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).