Chemical ID: 6018251

c1ccc2c(c1)c(c[nH]2)C(CC(=O)NC3CCCCC3)c4cccc(c4)Cl
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

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