Chemical ID: 6335593

c1cc(cc(c1)F)C(=O)NC23CC4CC(C2)CC(C4)C3
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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