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Chemical ID: 3948624
Chemical ID:
3948624
Name [?]:
2-[4-(4-fluorobenzoyl)-1-piperidyl]-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C21H23FN2O2/c1-15-4-2-3-5-19(15)23-20(25)14-24-12-10-17(11-13-24)21(26)16-6-8-18(22)9-7-16/h2-9,17H,10-14H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,21,25,22,24,14,16,13,17,11,2,20,15,23,7,9,18,26,8,12,10,19/E:(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCNCOCNCCCCCCOCCCCCCF/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23FN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03018 |
Area: | 567.726 |
Solvation: | -5.16298 |
Coulombic: | -37.1941 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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