N-{[1-(4-Amino-4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide

HCID 49763575

Notes Reactions

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Basic information

Standard SMILES: NC1(c2ccccc2)CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1
InChIKey: CUVUMQNQHNMFND-UHFFFAOYSA-N
Molecular formula: C25H29F3N4O2
Average molar mass: 474.5 g/mol

Names & identifiers

Preferred name: N-{[1-(4-Amino-4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
IUPAC: N-[2-[[1-(4-amino-4-phenylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Names & synonyms

CHEMBL1829637N-{[1-(4-Amino-4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamideSCHEMBL613937SCHEMBL10162007CUVUMQNQHNMFND-SAIGFBBZSA-NBDBM50353189

Database identifiers

PubChem CID: 49763575
ChEMBL: CHEMBL1829637

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 87.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 711

Related reactions

2 records

New reaction record

HRID 832874As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1893326As productuspto-grants-2013_08

Compound notes

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