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Chemical ID: 3959339
Chemical ID:
3959339
Name [?]:
N-(2,4-difluorophenyl)-2-[4-(1-piperidyl)-1-piperidyl]-acetamide
SMILES [?]:
c1cc(c(cc1F)F)NC(=O)CN2CCC(CC2)N3CCCCC3
InChi [?]:
InChI=1/C18H25F2N3O/c19-14-4-5-17(16(20)12-14)21-18(24)13-22-10-6-15(7-11-22)23-8-2-1-3-9-23/h4-5,12,15H,1-3,6-11,13H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:22,21,23,1,2,15,17,20,24,14,18,5,12,6,16,4,3,10,7,8,9,13,19,11/E:(2,3)(6,7)(8,9)(10,11)/rA:24nCCCCCCFFNCOCNCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25F2N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73417 |
Area: | 523.209 |
Solvation: | -4.34605 |
Coulombic: | -36.9021 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.38 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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