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Chemical ID: 7371058
Chemical ID:
7371058
Name [?]:
N-(2,6-difluorophenyl)-3-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C(=O)Nc2c(cccc2F)F
InChi [?]:
InChI=1/C14H8F5NO/c15-10-5-2-6-11(16)12(10)20-13(21)8-3-1-4-9(7-8)14(17,18)19/h1-7H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,4,3,5,15,19,14,11,7,21,20,8,9,10,13,12/E:(5,6)(10,11)(15,16)(17,18,19)/rA:21nCCCCCCCFFFCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8F5NO |
All Atoms: | 29 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.68188 |
Area: | 437.788 |
Solvation: | -4.26283 |
Coulombic: | -48.2865 |
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): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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