MLX

N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide



Chemical Component Summary

NameN-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide
Identifiers~{N}-[3-[2-chloranylethanoyl-(4-nitrophenyl)amino]propyl]-2,2,2-tris(fluoranyl)ethanamide
FormulaC13 H13 Cl F3 N3 O4
Molecular Weight367.708
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]
InChIInChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)
InChIKeyRPFLJHUKWQKWPO-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count37
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL1502738
PubChem 4257368
ChEMBL CHEMBL1502738
ChEBI CHEBI:93016