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YPO

Summary
Name:N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide
Formula:C18 H17 F3 N2 O2
Formal charge:0
Formula weight:350.335 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide
OpenEye OEToolkits2.0.7~{N}-[2-azanyl-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C)Nc1ccc(cc1N)C(=O)CCc1ccc(cc1)C(F)(F)F
InChIInChI1.06InChI=1S/C18H17F3N2O2/c1-11(24)23-16-8-5-13(10-15(16)22)17(25)9-4-12-2-6-14(7-3-12)18(19,20)21/h2-3,5-8,10H,4,9,22H2,1H3,(H,23,24)
InChIKeyInChI1.06NRSSDQYXMLRGOQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F
SMILESCACTVS3.385CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F

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PDB entries from 2026-03-25

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