N-(4-bromo-2-chloro-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide

HCID 58097337

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)CC(=O)Nc1c(Cl)cc(Br)cc1C(F)(F)F
InChIKey: QRHHSFCJTGZUMH-UHFFFAOYSA-N
Molecular formula: C13H14BrClF3NO
Average molar mass: 372.61 g/mol

Names & identifiers

Preferred name: N-(4-bromo-2-chloro-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide
IUPAC: N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide

Names & synonyms

N-(4-bromo-2-chloro-6(trifluoromethyl)phenyl)-3,3-dimethylbutanamideN-(4-bromo-2-chloro-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamideSCHEMBL1000062N-(4-bromo-2-chloro-6-(trifluoromethyl)phenyl)-3,3dimethylbutanamide1009344-66-4

Database identifiers

PubChem CID: 58097337

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 357

Related reactions

17 records

New reaction record

HRID 99080As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 141989As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 880668As productuspto-grants-2015_03

HRID 880669As reactantuspto-grants-2015_03

HRID 880671As productuspto-grants-2015_03

HRID 880672As reactantuspto-grants-2015_03

HRID 880677As reactantuspto-grants-2015_03

HRID 1132652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…