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Chemical ID: 5723380
Chemical ID:
5723380
Name [?]:
4-cyano-N-(5-fluoro-2-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(cc2)C#N)F
InChi [?]:
InChI=1/C15H11FN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,15,12,16,4,6,17,2,14,11,5,7,9,19,18,8,10/E:(3,4)(5,6)/rA:19nCCCCCCCNCOCCCCCCCNF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;t17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11FN2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12634 |
Area: | 445.442 |
Solvation: | -3.0097 |
Coulombic: | -29.2605 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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