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Chemical ID: 6322572
Chemical ID:
6322572
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-fluoro-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2ccc(cc2)F)C
InChi [?]:
InChI=1/C16H16FNO/c1-3-12-6-4-5-11(2)15(12)18-16(19)13-7-9-14(17)10-8-13/h4-10H,3H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,2,5,6,4,13,17,14,16,7,3,12,15,8,10,18,9,11/E:(7,8)(9,10)/rA:19nCCCCCCCCNCOCCCCCCFC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17268 |
Area: | 434.775 |
Solvation: | -2.6967 |
Coulombic: | -26.5289 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 257.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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