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Chemical ID: 6018377
Chemical ID:
6018377
Name [?]:
3-(4-fluorophenyl)-3-(1-methylindol-3-yl)-N-pentyl-propanamide
SMILES [?]:
CCCCCNC(=O)CC(c1ccc(cc1)F)c2cn(c3c2cccc3)C
InChi [?]:
InChI=1/C23H27FN2O/c1-3-4-7-14-25-23(27)15-20(17-10-12-18(24)13-11-17)21-16-26(2)22-9-6-5-8-19(21)22/h5-6,8-13,16,20H,3-4,7,14-15H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,24,25,4,23,26,12,16,13,15,5,9,19,11,14,22,10,18,21,7,17,6,20,8/E:(10,11)(12,13)/rA:27cCCCCCNCOCCCCCCCCFCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s10;d18;s19;s20;s18s21;d22;s23;d24;d21s25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27FN2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7729 |
Area: | 615.143 |
Solvation: | -3.6057 |
Coulombic: | -32.2767 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 366.472 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.35 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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