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Chemical ID: 6418918
Chemical ID:
6418918
Name [?]:
2-amino-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)N
InChi [?]:
InChI=1/C14H11F3N2O/c15-14(16,17)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)18/h1-8H,18H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,3,15,14,10,5,4,7,16,17,18,19,20,9,8/E:(15,16,17)/rA:20nCCCCCCCONCCCCCCCFFFN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11F3N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20468 |
Area: | 431.744 |
Solvation: | -2.58893 |
Coulombic: | -57.8296 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.245 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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