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Chemical ID: 6441481
Chemical ID:
6441481
Name [?]:
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenoxy)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)N(Cc2ccc(cc2)Br)C(=O)COc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C22H18BrCl2NO2/c1-15-2-9-19(10-3-15)26(13-16-4-6-17(23)7-5-16)22(27)14-28-21-11-8-18(24)12-20(21)25/h2-12H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,11,15,12,14,23,4,6,22,25,9,19,2,10,13,24,5,26,21,17,16,28,27,8,18,20/E:(2,3)(4,5)(6,7)(9,10)/rA:28nCCCCCCCNCCCCCCCBrCOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18BrCl2NO2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3197 |
Area: | 645.433 |
Solvation: | -3.81613 |
Coulombic: | -27.3441 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 479.193 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 7.01 |
LogP (Chemaxon): | 6.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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