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N-ethyl-3-fluoro-5-(1H-indazol-6-yl)-4-methylbenzamide

HCID 60133232
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCNC(=O)c1cc(F)c(C)c(-c2ccc3cn[nH]c3c2)c1
InChIKey
AUIINSOCKDQPRK-UHFFFAOYSA-N
Molecular formula
C17H16FN3O
Average molar mass
297.33 g/mol
Monoisotopic mass
297.1277403

Names & identifiers

Preferred name
N-ethyl-3-fluoro-5-(1H-indazol-6-yl)-4-methylbenzamide
IUPAC
N-ethyl-3-fluoro-5-(1H-indazol-6-yl)-4-methylbenzamide

Names & synonyms

SCHEMBL3523174AUIINSOCKDQPRK-UHFFFAOYSA-NN-ethyl-3-fluoro-5-(1H-indazol-6-yl)-4-methylbenzamide

Database identifiers

PubChem CID
60133232

Properties

Computed structural propertiesFilling in

XLogP
3.3
Topological polar surface area
57.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
405

Related reactions

3 records
New reaction record
HRID 157688 reaction equation
HRID 157688As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2246624 reaction equation
HRID 2246624As productuspto-grants-2010_03
HRID 2246625 reaction equation
HRID 2246625As reactantuspto-grants-2010_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes