Chemical ID: 6525121

COc1ccc(cc1)CNC(=O)c2cccc(c2)C(F)(F)F
Chemical ID:
6525121
Name [?]:
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C16H14F3NO2/c1-22-14-7-5-11(6-8-14)10-20-15(21)12-3-2-4-13(9-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,5,7,4,8,18,9,6,13,17,3,11,19,20,21,22,10,12,2/E:(5,6)(7,8)(17,18,19)/rA:22nCOCCCCCCCNCOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14F3NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.45977
Area:495.094
Solvation:-3.91759
Coulombic:-49.1966
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.283
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):3.35

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