Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea

C₂₃H₁₈Cl₃FN₄O₃SCAS 905973-89-9555.83 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide Nitro

Properties

Molecular formula: C₂₃H₁₈Cl₃FN₄O₃S
Molar mass: 555.83 g/mol
Exact mass: 554.0149 Da
logP: 5.66Crippen estimate
Polar surface area: 96.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

905973-89-9

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChIKey

HLCDNLNLQNYZTK-UHFFFAOYSA-N

InChI

InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,2-Diphenyl-N-(2,2,2-trichloro-1-[3-(4-fluoro-3-nitrophenyl)thioureido]ethyl)acetamide

Work with Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-6-nitro-N-phenylbenzamide870281-83-736 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-635 % similar 1-Fluoro-4-iodo-2-nitrobenzene364-75-035 % similar 2,5-Difluoronitrobenzene364-74-935 % similar 4'-Fluoro-3'-nitroacetophenone400-93-135 % similar 4-Fluoro-3-nitrobenzoic acid453-71-435 % similar 1-Fluoro-2,4-dinitrobenzene70-34-834 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook