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Chemical ID: 6525121
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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