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Chemical ID: 3948628
Chemical ID:
3948628
Name [?]:
N-(4-ethylphenyl)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H25FN2O2/c1-2-16-3-9-20(10-4-16)24-21(26)15-25-13-11-18(12-14-25)22(27)17-5-7-19(23)8-6-17/h3-10,18H,2,11-15H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,22,26,23,25,5,7,15,17,14,18,12,3,21,16,24,6,10,19,27,9,13,11,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;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: | 9.74174 |
Area: | 598.34 |
Solvation: | -5.21675 |
Coulombic: | -37.3383 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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