N,N'-(2,2'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diyl)bis(4-aminobenzamide)

C₂₈H₂₀F₆N₄O₂CAS 1449757-11-2558.48 g/mol

Open in Covalent MOL file

Alkyl halide Amide Primary amine

Properties

Molecular formula: C₂₈H₂₀F₆N₄O₂
Molar mass: 558.48 g/mol
Exact mass: 558.1490 Da
logP: 7.06Crippen estimate
Polar surface area: 110.2 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 5

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

1449757-11-2

SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)N)C(F)(F)F)C(F)(F)F)N

InChIKey

CBYXHYQSFALRPA-UHFFFAOYSA-N

InChI

InChI=1S/C28H20F6N4O2/c29-27(30,31)23-13-19(37-25(39)15-1-5-17(35)6-2-15)9-11-21(23)22-12-10-20(14-24(22)28(32,33)34)38-26(40)16-3-7-18(36)8-4-16/h1-14H,35-36H2,(H,37,39)(H,38,40)

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Names and synonyms

1 names

N,N'-(2,2'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diyl)bis(4-aminobenzamide) (ab-tfmb)

Work with N,N'-(2,2'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diyl)bis(4-aminobenzamide)

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

N-(4-Aminophenyl)benzamide17625-83-152 % similar 2,2'-Bis(trifluoromethyl)benzidine341-58-251 % similar 4-Aminobenzoic acid hydrazide5351-17-743 % similar 4-Amino-N-methylbenzamide6274-22-242 % similar Tamibarotene94497-51-540 % similar p-(Trifluoromethyl)benzoylhydrazine339-59-339 % similar 4-Amino-2-(trifluoromethyl)benzoic Acid393-06-639 % similar 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-239 % similar

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

Elsewhere

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