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Chemical ID: 6672464
Chemical ID:
6672464
Name [?]:
3-fluoro-N-(2,4,5-trimethylphenyl)-benzamide
SMILES [?]:
Cc1cc(c(cc1C)NC(=O)c2cccc(c2)F)C
InChi [?]:
InChI=1/C16H16FNO/c1-10-7-12(3)15(8-11(10)2)18-16(19)13-5-4-6-14(17)9-13/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,19,14,13,15,3,6,17,2,7,4,12,16,5,10,18,9,11/rA:19nCCCCCCCCNCOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47598 |
Area: | 444.161 |
Solvation: | -2.62804 |
Coulombic: | -25.9918 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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