2-Fluoro-N-{[1-(4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-5-trifluoromethyl-benzamide

HCID 49763099

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(CNC(=O)c1cc(C(F)(F)F)ccc1F)NC1CN(C2CCC(c3ccccc3)CC2)C1
InChIKey: JWZOERMMAFGNFN-UHFFFAOYSA-N
Molecular formula: C25H27F4N3O2
Average molar mass: 477.5 g/mol

Names & identifiers

Preferred name: 2-Fluoro-N-{[1-(4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-5-trifluoromethyl-benzamide
IUPAC: 2-fluoro-N-[2-oxo-2-[[1-(4-phenylcyclohexyl)azetidin-3-yl]amino]ethyl]-5-(trifluoromethyl)benzamide

Names & synonyms

2-Fluoro-N-{[1-(4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-5-trifluoromethyl-benzamideSCHEMBL614847SCHEMBL13153835JWZOERMMAFGNFN-MSEWRSJXSA-N

Database identifiers

PubChem CID: 49763099

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 699

Related reactions

8 records

New reaction record

HRID 190979As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 309475As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 802891As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1553148As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1893303As productuspto-grants-2013_08

HRID 1893305As reactantuspto-grants-2013_08

HRID 1893306As reactantuspto-grants-2013_08

HRID 1893307As reactantuspto-grants-2013_08

Compound notes

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