N-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-ynamide

HCID 57845708
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Basic information

Standard SMILES
O=C(C#Cc1ccc(C(F)(F)F)cc1Cl)Nc1ccc(CN2CCCCC2)c(Cl)c1
InChIKey
NRWVANZRDWCFPG-UHFFFAOYSA-N
Molecular formula
C22H19Cl2F3N2O
Average molar mass
455.3 g/mol
Monoisotopic mass
454.0826531

Names & identifiers

Preferred name
N-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-ynamide
IUPAC
N-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-ynamide

Names & synonyms

SCHEMBL3857471NRWVANZRDWCFPG-UHFFFAOYSA-NN-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-ynamide

Database identifiers

PubChem CID
57845708

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

Related reactions

1 records
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Compound notes

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