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Chemical ID: 5522061
Chemical ID:
5522061
Name [?]:
N-benzyl-4-(trifluoromethyl)benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C15H12F3NO/c16-15(17,18)13-8-6-12(7-9-13)14(20)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,16,13,15,7,4,11,14,9,17,18,19,20,8,10/E:(2,3)(4,5)(6,7)(8,9)(16,17,18)/rA:20nCCCCCCCNCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12F3NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87581 |
Area: | 455.224 |
Solvation: | -2.50479 |
Coulombic: | -43.1809 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 279.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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