Chemical ID: 4240662

c1cc(cc(c1)F)C(=O)NC2C3CC4CC(C3)CC2C4
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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