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Chemical ID: 6018251
Chemical ID:
6018251
Name [?]:
3-(3-chlorophenyl)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(CC(=O)NC3CCCCC3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C23H25ClN2O/c24-17-8-6-7-16(13-17)20(14-23(27)26-18-9-2-1-3-10-18)21-15-25-22-12-5-4-11-19(21)22/h4-8,11-13,15,18,20,25H,1-3,9-10,14H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:18,17,19,1,2,23,22,24,16,20,6,3,26,11,8,21,25,15,5,10,7,4,12,27,9,14,13/E:(2,3)(9,10)/rA:27cCCCCCCCCNCCCONCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s10;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25ClN2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5594 |
Area: | 605.017 |
Solvation: | -2.56598 |
Coulombic: | -34.3271 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.91 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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