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Chemical ID: 5567957
Chemical ID:
5567957
Name [?]:
N-(2-fluorophenyl)-4-(trifluoromethoxy)benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)F
InChi [?]:
InChI=1/C14H9F4NO2/c15-11-3-1-2-4-12(11)19-13(20)9-5-7-10(8-6-9)21-14(16,17)18/h1-8H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,15,12,14,10,13,4,5,8,17,21,18,19,20,7,9,16/E:(5,6)(7,8)(16,17,18)/rA:21nCCCCCCNCOCCCCCCOCFFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9F4NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35886 |
Area: | 439.407 |
Solvation: | -2.62633 |
Coulombic: | -59.2759 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.22 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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