Pd184352

C₁₇H₁₄ClF₂IN₂O₂CAS 212631-79-3478.66 g/mol

Open in Covalent MOL file

Amide Aryl halide Secondary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6

Hazards

Warning

H400 Very toxic to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

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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