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Chemical ID: 3939533
Chemical ID:
3939533
Name [?]:
4-(1-adamantylcarbonylamino)-N-(2-fluorophenyl)-piperidine-1-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)N2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4)F
InChi [?]:
InChI=1/C23H30FN3O2/c24-19-3-1-2-4-20(19)26-22(29)27-7-5-18(6-8-27)25-21(28)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-18H,5-14H2,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,12,14,11,15,22,25,27,24,20,28,23,21,26,13,4,5,17,8,19,29,16,7,10,18,9/E:(5,6)(7,8)(9,10,11)(12,13,14)(15,16,17)/rA:29nCCCCCCNCONCCCCCNCOCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;s21;s22;s19s23;s23;s25;s21s26;s19s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30FN3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6563 |
Area: | 591.92 |
Solvation: | -3.14172 |
Coulombic: | -56.715 |
Bond Count [?]
All: | 33 |
Single: | 28 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.502 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.22 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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