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Chemical ID: 6127937
Chemical ID:
6127937
Name [?]:
2,4-dichloro-N-[3-(1-ethylindol-3-yl)-1-methyl-propyl]-benzamide
SMILES [?]:
CCn1cc(c2c1cccc2)CCC(C)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H22Cl2N2O/c1-3-25-13-15(17-6-4-5-7-20(17)25)9-8-14(2)24-21(26)18-11-10-16(22)12-19(18)23/h4-7,10-14H,3,8-9H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,15,2,10,9,11,8,13,12,21,20,23,4,14,5,22,6,19,24,7,17,26,25,16,3,18/rA:26cCCNCCCCCCCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;s3s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22Cl2N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7375 |
Area: | 617.66 |
Solvation: | -2.704 |
Coulombic: | -29.6068 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 389.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.16 |
LogP (Chemaxon): | 5.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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