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Chemical ID: 6335593
Chemical ID:
6335593
Name [?]:
N-(1-adamantyl)-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H20FNO/c18-15-3-1-2-14(7-15)16(20)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,17,19,4,16,12,20,15,13,18,3,5,8,11,7,10,9/E:(4,5,6)(8,9,10)(11,12,13)/rA:20nCCCCCCFCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20FNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50358 |
Area: | 426.774 |
Solvation: | -2.16577 |
Coulombic: | -27.0303 |
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: | 4.47 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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