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Chemical ID: 3948631
Chemical ID:
3948631
Name [?]:
N-(2,3-dimethylphenyl)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H25FN2O2/c1-15-4-3-5-20(16(15)2)24-21(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:1,8,4,3,5,22,26,23,25,15,17,14,18,12,2,7,21,16,24,6,10,19,27,9,13,11,20/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25FN2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51597 |
Area: | 588.358 |
Solvation: | -5.19298 |
Coulombic: | -36.969 |
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: | 3.48 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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