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Chemical ID: 4240662
Chemical ID:
4240662
Name [?]:
N-(2-adamantyl)-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NC2C3CC4CC(C3)CC2C4
InChi [?]:
InChI=1/C17H20FNO/c18-15-3-1-2-12(9-15)17(20)19-16-13-5-10-4-11(7-13)8-14(16)6-10/h1-3,9-11,13-14,16H,4-8H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,13,20,17,18,4,14,16,3,12,19,5,11,8,7,10,9/E:(5,6,7,8)(10,11)(13,14)/rA:20nCCCCCCFCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s16;s11s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60622 |
Area: | 432.804 |
Solvation: | -2.21387 |
Coulombic: | -27.165 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.35 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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