N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide

C18H16F2N4O2 — CID 17426455

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16F2N4O2/c1-2-24(10-15(25)21-17-12(19)7-5-8-13(17)20)18(26)16-11-6-3-4-9-14(11)22-23-16/h3-9H,2,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyYYFYSCLUTQOEMH-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.94
Rot. Bonds5

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

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide (PubChem CID 17426455) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide
PubChem CID17426455
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16F2N4O2/c1-2-24(10-15(25)21-17-12(19)7-5-8-13(17)20)18(26)16-11-6-3-4-9-14(11)22-23-16/h3-9H,2,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyYYFYSCLUTQOEMH-UHFFFAOYSA-N
XLogP2.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.94
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-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide (CID 17426455) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide?
The InChIKey is YYFYSCLUTQOEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-2-24(10-15(25)21-17-12(19)7-5-8-13(17)20)18(26)16-11-6-3-4-9-14(11)22-23-16/h3-9H,2,10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 17426455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).