N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide

C17H14Cl2N4O2 — CID 24979303

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H14Cl2N4O2/c1-23(9-14(24)20-16-11(18)6-4-7-12(16)19)17(25)15-10-5-2-3-8-13(10)21-22-15/h2-8H,9H2,1H3,(H,20,24)(H,21,22)
InChIKeyZSBIXWRBQHDNKA-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 24979303) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID24979303
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H14Cl2N4O2/c1-23(9-14(24)20-16-11(18)6-4-7-12(16)19)17(25)15-10-5-2-3-8-13(10)21-22-15/h2-8H,9H2,1H3,(H,20,24)(H,21,22)
InChIKeyZSBIXWRBQHDNKA-UHFFFAOYSA-N
XLogP3.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (CID 24979303) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is ZSBIXWRBQHDNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-23(9-14(24)20-16-11(18)6-4-7-12(16)19)17(25)15-10-5-2-3-8-13(10)21-22-15/h2-8H,9H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 24979303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).