HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2-chloro-N-(3-cyclopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)propyl)-6-fluorobenzamide

HCID 86716319
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NCC(CC1CC1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1Cl
InChIKey
STCXIRZKWXHTIY-UHFFFAOYSA-N
Molecular formula
C19H17ClF4N2O
Average molar mass
400.8 g/mol

Names & identifiers

Preferred name
2-chloro-N-(3-cyclopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)propyl)-6-fluorobenzamide
IUPAC
2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-fluorobenzamide

Names & synonyms

2-chloro-N-(3-cyclopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)propyl)-6-fluorobenzamideCHEMBL3679067SCHEMBL16461589BDBM173715(-)-2-chloro-N-(3-cyclopropyl-2-(6-(trifluoromethyl)pyridin-3-yl)propyl)-6-fluorobenzamideUS9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridyl]propyl]-6-fluoro-benzamideUS9102591, (?)2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridyl]propyl]-6-fluoro-benzamide

Database identifiers

PubChem CID
86716319
ChEMBL
CHEMBL3679067

Properties

Computed structural propertiesFilling in

XLogP
5
Topological polar surface area
42 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
514

Related reactions

2 records
New reaction record
HRID 512274 reaction equation
HRID 512274As productuspto-grants-2015_08
HRID 512392 reaction equation
HRID 512392As productuspto-grants-2015_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes