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Chemical ID: 6029405
Chemical ID:
6029405
Name [?]:
N-butyl-3-(3-chlorophenyl)-3-(1H-indol-3-yl)propanamide
SMILES [?]:
CCCCNC(=O)CC(c1cccc(c1)Cl)c2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C21H23ClN2O/c1-2-3-11-23-21(25)13-18(15-7-6-8-16(22)12-15)19-14-24-20-10-5-4-9-17(19)20/h4-10,12,14,18,24H,2-3,11,13H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,23,24,12,11,13,22,25,4,15,8,18,10,14,21,9,17,20,6,16,5,19,7/rA:25cCCCCNCOCCCCCCCCClCCNCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23ClN2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1806 |
Area: | 593.225 |
Solvation: | -2.64999 |
Coulombic: | -34.2103 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.873 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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