Chemical ID: 6547891

c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)COc5ccc(cc5Cl)Cl
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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Descriptor Annotations

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