N-benzooxazol-2-yl-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamide

HCID 10179274

Notes Reactions

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Basic information

Standard SMILES: O=C(Nc1nc2ccccc2o1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIKey: ACXDSKDJMZEDQU-UHFFFAOYSA-N
Molecular formula: C21H20Cl2N2O2
Average molar mass: 403.3 g/mol

Names & identifiers

Preferred name: N-benzooxazol-2-yl-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamide
IUPAC: N-(1,3-benzoxazol-2-yl)-3-cyclopentyl-2-(3,4-dichlorophenyl)propanamide

Names & synonyms

SCHEMBL2652529ACXDSKDJMZEDQU-UHFFFAOYSA-NN-benzooxazol-2-yl-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamideN-benzoxazol-2-yl-3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionamide

Database identifiers

PubChem CID: 10179274

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 514

Related reactions

5 records

New reaction record

HRID 310900As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1265432As productuspto-grants-2003_04

HRID 1280009As productuspto-grants-2002_09

HRID 2304141As productuspto-grants-2002_08

HRID 2306293As productuspto-grants-2002_08

Compound notes

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