N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide

C16H11F3N4O2 — CID 4786972

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(CNC(=O)c1n[nH]c2ccccc12)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H11F3N4O2/c17-9-5-6-11(14(19)13(9)18)21-12(24)7-20-16(25)15-8-3-1-2-4-10(8)22-23-15/h1-6H,7H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyVYXIIFPTMNDSRV-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.35
Rot. Bonds4

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide (PubChem CID 4786972) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide
PubChem CID4786972
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(CNC(=O)c1n[nH]c2ccccc12)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H11F3N4O2/c17-9-5-6-11(14(19)13(9)18)21-12(24)7-20-16(25)15-8-3-1-2-4-10(8)22-23-15/h1-6H,7H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyVYXIIFPTMNDSRV-UHFFFAOYSA-N
XLogP2.35
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide (CID 4786972) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide is O=C(CNC(=O)c1n[nH]c2ccccc12)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is VYXIIFPTMNDSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c17-9-5-6-11(14(19)13(9)18)21-12(24)7-20-16(25)15-8-3-1-2-4-10(8)22-23-15/h1-6H,7H2,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 4786972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).