For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(4-chloro-3-trifluoromethylphenyl)urea
SpectraBase Compound ID 9MeC8q1VFiZ
InChI InChI=1S/C28H19ClF3N5O2/c29-23-11-8-19(16-22(23)28(30,31)32)35-27(39)34-18-6-9-20(10-7-18)37-15-13-21-24(37)12-14-33-25(21)36-26(38)17-4-2-1-3-5-17/h1-16H,(H,33,36,38)(H2,34,35,39)
InChIKey VKWIMVLCLZIEJA-UHFFFAOYSA-N
Mol Weight 549.94 g/mol
Molecular Formula C28H19ClF3N5O2
Exact Mass 549.117937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5F5oXo87Wyb
Name 1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(4-chloro-3-trifluoromethylphenyl)urea
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H19ClF3N5O2
InChI InChI=1S/C28H19ClF3N5O2/c29-23-11-8-19(16-22(23)28(30,31)32)35-27(39)34-18-6-9-20(10-7-18)37-15-13-21-24(37)12-14-33-25(21)36-26(38)17-4-2-1-3-5-17/h1-16H,(H,33,36,38)(H2,34,35,39)
InChIKey VKWIMVLCLZIEJA-UHFFFAOYSA-N
Molecular Weight 549.941 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(Nc4cc(C(F)(F)F)c(cc4)Cl)=O)cc3)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-0udi-0000090000-ab6bda0ee702e19eece5
Source of Spectrum F2-46-3223-8d
Synonyms N-[1-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-4-pyrrolo[3,2-c]pyridinyl]benzamide N-[1-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide
Wiley ID 1689999