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Chemical ID: 7098013
Chemical ID:
7098013
Name [?]:
2-acetamido-3-(3-fluorophenyl)-N-[1-(3-methylbenzoyl)-4-piperidyl]-propanamide
SMILES [?]:
Cc1cccc(c1)C(=O)N2CCC(CC2)NC(=O)C(Cc3cccc(c3)F)NC(=O)C
InChi [?]:
InChI=1/C24H28FN3O3/c1-16-5-3-7-19(13-16)24(31)28-11-9-21(10-12-28)27-23(30)22(26-17(2)29)15-18-6-4-8-20(25)14-18/h3-8,13-14,21-22H,9-12,15H2,1-2H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,31,4,23,3,22,5,24,12,14,11,15,7,26,20,2,29,21,6,25,13,19,17,8,27,28,16,10,30,18,9/E:(9,10)(11,12)/rA:31cCCCCCCCCONCCCCCNCOCCCCCCCCFNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s25;s19;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28FN3O3 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8006 |
Area: | 655.202 |
Solvation: | -5.57948 |
Coulombic: | -62.3772 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.496 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.35 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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