CHEBI:105714 - 3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea
ChEBI ID CHEBI:105714
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H23Cl2FN2O
Net Charge 0
Average Mass 445.357
Monoisotopic Mass 444.11715
InChI InChI=1S/C24H23Cl2FN2O/c1-17-12-13-20(14-21(17)27)22(23(25)26)28-24(30)29(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,22-23H,15-16H2,1H3,(H,28,30)
InChIKey ATDPQEPHNOQBOD-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)C(C(Cl)Cl)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)F
ChEBI Ontology
Outgoing 3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea (CHEBI:105714) is a organofluorine compound (CHEBI:37143)
Manual Xref Database
LSM-17076 LINCS
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