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Chemical ID: 3948636
Chemical ID:
3948636
Name [?]:
N-(2,6-dimethylphenyl)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F)C
InChi [?]:
InChI=1/C22H25FN2O2/c1-15-4-3-5-16(2)21(15)24-20(26)14-25-12-10-18(11-13-25)22(27)17-6-8-19(23)9-7-17/h3-9,18H,10-14H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,4,3,5,21,25,22,24,14,16,13,17,11,2,6,20,15,23,9,7,18,26,8,12,10,19/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:27nCCCCCCCNCOCNCCCCCCOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25FN2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27774 |
Area: | 585.07 |
Solvation: | -5.34902 |
Coulombic: | -36.7514 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.27 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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