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Chemical ID: 6525076
Chemical ID:
6525076
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2cc(ccc2C)F
InChi [?]:
InChI=1/C15H14FNO/c1-10-4-3-5-12(8-10)15(18)17-14-9-13(16)7-6-11(14)2/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,4,3,5,15,14,7,12,2,16,6,13,11,8,18,10,9/rA:18nCCCCCCCCONCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17512 |
Area: | 424.728 |
Solvation: | -2.44307 |
Coulombic: | -26.6965 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 243.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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