Chemical ID: 5908271

CCCCC(=O)N(CCCC)CC(=O)N1CC(=O)N(C1)c2cccc(c2)Cl
Chemical ID:
5908271
Name [?]:
N-butyl-N-[[3-(3-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CCCC)CC(=O)N1CC(=O)N(C1)c2cccc(c2)Cl
InChi [?]:
InChI=1/C20H28ClN3O3/c1-3-5-10-18(25)22(11-6-4-2)13-19(26)23-14-20(27)24(15-23)17-9-7-8-16(21)12-17/h7-9,12H,3-6,10-11,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,10,3,9,23,24,22,4,8,26,12,16,20,25,21,5,13,17,27,7,15,19,6,14,18/rA:27nCCCCCONCCCCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7;s12;d13;s13;s15;s16;d17;s17;s15s19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28ClN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1264
Area:658.093
Solvation:-4.32595
Coulombic:-49.4198
Bond Count [?]
All:28
Single:22
Double:6
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:393.907
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.34
LogP (Chemaxon):2.82

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