N-{3-[1-(3-{[bis(4-fluorophenyl)(hydroxy)acetyl]amino}propyl)-4-piperidinyl]-4-methylphenyl}-2-methylpropanamide

HCID 10076577

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey: CPRLOFKKORTPLD-UHFFFAOYSA-N
Molecular formula: C33H39F2N3O3
Average molar mass: 563.7 g/mol
Monoisotopic mass: 563.29594844

Names & identifiers

Preferred name: N-{3-[1-(3-{[bis(4-fluorophenyl)(hydroxy)acetyl]amino}propyl)-4-piperidinyl]-4-methylphenyl}-2-methylpropanamide
IUPAC: N-[3-[1-[3-[[2,2-bis(4-fluorophenyl)-2-hydroxyacetyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

Names & synonyms

SCHEMBL4792335CPRLOFKKORTPLD-UHFFFAOYSA-NN-{3-[1-(3-{[bis(4-fluorophenyl)(hydroxy)acetyl]amino}propyl)-4-piperidinyl]-4-methylphenyl}-2-methylpropanamide

Database identifiers

PubChem CID: 10076577

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 81.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 41
Formal charge: 0
Complexity: 812

Related reactions

2 records

New reaction record

HRID 1229083As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1269326As productuspto-grants-2007_04

Compound notes

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