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Chemical ID: 3948658
Chemical ID:
3948658
Name [?]:
N-(4-acetylphenyl)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H23FN2O3/c1-15(26)16-4-8-20(9-5-16)24-21(27)14-25-12-10-18(11-13-25)22(28)17-2-6-19(23)7-3-17/h2-9,18H,10-14H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,23,27,5,9,24,26,6,8,16,18,15,19,13,2,4,22,17,25,7,11,20,28,10,14,3,12,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:28nCCOCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23FN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73868 |
Area: | 609.683 |
Solvation: | -6.50339 |
Coulombic: | -43.4472 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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