Chemical ID: 4109238

c1cc(ccc1C=CC(=O)NC2CCCCCCCCCCC2)Cl
Chemical ID:
4109238
Name [?]:
3-(4-chlorophenyl)-N-cyclododecyl-prop-2-enamide
SMILES [?]:
c1cc(ccc1C=CC(=O)NC2CCCCCCCCCCC2)Cl
InChi [?]:
InChI=1/C21H30ClNO/c22-19-15-12-18(13-16-19)14-17-21(24)23-20-10-8-6-4-2-1-3-5-7-9-11-20/h12-17,20H,1-11H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,15,21,14,22,13,23,1,5,7,2,4,8,6,3,12,9,24,11,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:24nCCCCCCCCCONCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s12s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30ClNO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8813
Area:546.798
Solvation:-1.78864
Coulombic:-25.6403
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:347.922
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.56
LogP (Chemaxon):6.02

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