3-bromanyl-3,4-bis(fluoranyl)pyrrolidine; 2-(1-phenylazanylpropyl)benzamide

Systemtic Name: 3-bromanyl-3,4-bis(fluoranyl)pyrrolidine; 2-(1-phenylazanylpropyl)benzamide Openeye Name: 2-(1-anilinopropyl)benzamide; 3-bromo-3,4-difluoro-pyrrolidine CAS Name: 2-(1-anilinopropyl)benzamide; 3-bromo-3,4-difluoropyrrolidine IUPAC Name: 2-(1-anilinopropyl)benzamide; 3-bromo-3,4-difluoropyrrolidine Traditional Name: 2-(1-anilinopropyl)benzamide; 3-bromo-3,4-difluoro-pyrrolidine Formula: C20H24BrF2N3O MolecularWeight: 440.324866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C(=O)N)NC2=CC=CC=C2.C1C(C(CN1)(F)Br)F

Isomeric SMILES

CCC(C1=CC=CC=C1C(=O)N)NC2=CC=CC=C2.C1C(C(CN1)(F)Br)F

InChI

InChI=1S/C16H18N2O.C4H6BrF2N/c1-2-15(18-12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17)19;5-4(7)2-8-1-3(4)6/h3-11,15,18H,2H2,1H3,(H2,17,19);3,8H,1-2H2