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Chemical ID: 6349283
Chemical ID:
6349283
Name [?]:
4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2c(c(c(c(c2F)F)F)F)F
InChi [?]:
InChI=1/C14H8F5NO2/c1-22-7-4-2-6(3-5-7)14(21)20-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,6,3,15,14,16,13,17,12,9,20,21,19,22,18,11,10,2/E:(2,3)(4,5)(9,10)(11,12)(16,17)(18,19)/rA:22nCOCCCCCCCONCCCCCCFFFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s16;s15;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8F5NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.75525 |
Area: | 450.458 |
Solvation: | -7.50621 |
Coulombic: | -42.2902 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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