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Chemical ID: 5415287
Chemical ID:
5415287
Name [?]:
N-(2-chloro-4-methyl-phenyl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
Cc1ccc(c(c1)Cl)NC(=O)CCCOc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C21H26ClNO2/c1-15-7-12-19(18(22)14-15)23-20(24)6-5-13-25-17-10-8-16(9-11-17)21(2,3)4/h7-12,14H,5-6,13H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,13,12,3,18,20,17,21,4,14,7,2,19,16,6,5,10,22,8,9,11,15/E:(2,3,4)(8,9)(10,11)/rA:25nCCCCCCCClNCOCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26ClNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9191 |
Area: | 610.533 |
Solvation: | -3.34418 |
Coulombic: | -30.0167 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.889 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.07 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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