N-[2-(trifluoromethyl)phenyl]pentanamide

HCID 2274751

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCC(=O)Nc1ccccc1C(F)(F)F
InChIKey: JIHXNIPQSMUYQP-UHFFFAOYSA-N
Molecular formula: C12H14F3NO
Average molar mass: 245.24 g/mol

Names & identifiers

Preferred name: N-[2-(trifluoromethyl)phenyl]pentanamide
IUPAC: N-[2-(trifluoromethyl)phenyl]pentanamide

Names & synonyms

N-[2-(trifluoromethyl)phenyl]pentanamideN-(2-trifluoromethylphenyl)-pentanamideCBMicro_046027SCHEMBL11616583AKOS002952855BIM-0045982.P001SR-01000231525SR-01000231525-1

Database identifiers

PubChem CID: 2274751

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 253

Related reactions

4 records

New reaction record

HRID 99133As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1130939As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2419821As productuspto-grants-1978_08

HRID 2419822As reactantuspto-grants-1978_08

Compound notes

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