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Chemical ID: 7347994
Chemical ID:
7347994
Name [?]:
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
c1cc(ccc1C(F)(F)F)NC(=O)c2cc(cc(c2)F)F
InChi [?]:
InChI=1/C14H8F5NO/c15-10-5-8(6-11(16)7-10)13(21)20-12-3-1-9(2-4-12)14(17,18)19/h1-7H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,19,17,14,6,16,18,3,12,7,21,20,8,9,10,11,13/E:(1,2)(3,4)(5,6)(10,11)(15,16)(17,18,19)/rA:21nCCCCCCCFFFNCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8F5NO |
All Atoms: | 29 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63774 |
Area: | 437.118 |
Solvation: | -4.2902 |
Coulombic: | -46.2728 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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