Chemical ID: 4746373

c1c(cc(cc1Cl)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
4746373
Name [?]:
N-(3,5-dichlorophenyl)adamantane-1-carboxamide
SMILES [?]:
c1c(cc(cc1Cl)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H19Cl2NO/c18-13-4-14(19)6-15(5-13)20-16(21)17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12H,1-3,7-9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:15,18,20,5,1,3,17,13,21,16,14,19,6,4,2,10,12,7,8,9,11/E:(1,2,3)(5,6)(7,8,9)(10,11,12)(13,14)(18,19)/rA:21nCCCCCCClClNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19Cl2NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.7219
Area:488.377
Solvation:-1.48754
Coulombic:-22.6722
Bond Count [?]
All:24
Single:20
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.244
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.48
LogP (Chemaxon):4.93

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Descriptor Annotations

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