chempirical

Pd184352

C17H14ClF2IN2O2CAS 212631-79-3478.66 g/mol

Open in Covalent MOL file
ONHOFFHNICl
AmideAryl halideSecondary amine

Properties

Molecular formula
C17H14ClF2IN2O2
Molar mass
478.66 g/mol
Exact mass
477.9757 Da
logP
5.04Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

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
212631-79-3
SMILES
C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
InChIKey
GFMMXOIFOQCCGU-UHFFFAOYSA-N
InChI
InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)

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Work with Pd184352

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

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

Elsewhere

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