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Chemical ID: 6028182
Chemical ID:
6028182
Name [?]:
N-butyl-3-(3-chlorophenyl)-3-(1-methylindol-3-yl)-propanamide
SMILES [?]:
CCCCNC(=O)CC(c1cccc(c1)Cl)c2cn(c3c2cccc3)C
InChi [?]:
InChI=1/C22H25ClN2O/c1-3-4-12-24-22(26)14-19(16-8-7-9-17(23)13-16)20-15-25(2)21-11-6-5-10-18(20)21/h5-11,13,15,19H,3-4,12,14H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,2,3,23,24,12,11,13,22,25,4,15,8,18,10,14,21,9,17,20,6,16,5,19,7/rA:26cCCCCNCOCCCCCCCCClCCNCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s9;d17;s18;s19;s17s20;d21;s22;d23;d20s24;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25ClN2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5665 |
Area: | 614.06 |
Solvation: | -2.78504 |
Coulombic: | -29.0155 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.899 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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