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Chemical ID: 6547891
Chemical ID:
6547891
Name [?]:
N-[4-(1-adamantyl)phenyl]-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)COc5ccc(cc5Cl)Cl
InChi [?]:
InChI=1/C24H25Cl2NO2/c25-19-3-6-22(21(26)10-19)29-14-23(28)27-20-4-1-18(2-5-20)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,5,24,2,4,23,10,13,15,26,12,8,16,20,11,9,14,6,25,3,27,22,18,7,29,28,17,19,21/E:(1,2)(4,5)(7,8,9)(11,12,13)(15,16,17)/rA:29nCCCCCCCCCCCCCCCCNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s11;s13;s9s14;s7s14;s3;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25Cl2NO2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5065 |
Area: | 633.133 |
Solvation: | -4.32183 |
Coulombic: | -30.2943 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 430.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.89 |
LogP (Chemaxon): | 6.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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