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Chemical ID: 6018510
Chemical ID:
6018510
Name [?]:
3-(3-chlorophenyl)-N-isopentyl-3-(1-methylindol-3-yl)-propanamide
SMILES [?]:
CC(C)CCNC(=O)CC(c1cccc(c1)Cl)c2cn(c3c2cccc3)C
InChi [?]:
InChI=1/C23H27ClN2O/c1-16(2)11-12-25-23(27)14-20(17-7-6-8-18(24)13-17)21-15-26(3)22-10-5-4-9-19(21)22/h4-10,13,15-16,20H,11-12,14H2,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,27,24,25,13,12,14,23,26,4,5,16,9,19,2,11,15,22,10,18,21,7,17,6,20,8/E:(1,2)/rA:27cCCCCCNCOCCCCCCCCClCCNCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s10;d18;s19;s20;s18s21;d22;s23;d24;d21s25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27ClN2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0597 |
Area: | 634.099 |
Solvation: | -2.79276 |
Coulombic: | -29.275 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.926 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.75 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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