Chemical ID: 5920371

CCC(C)C(=O)N(C)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
Chemical ID:
5920371
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N,2-dimethyl-butanamide
SMILES [?]:
CCC(C)C(=O)N(C)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H22ClN3O3/c1-4-12(2)17(24)19(3)9-15(22)20-10-16(23)21(11-20)14-7-5-13(18)6-8-14/h5-8,12H,4,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,8,2,20,22,19,23,9,13,17,3,21,18,10,14,5,24,7,12,16,11,15,6/E:(5,6)(7,8)/rA:24cCCCCCONCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s3;d5;s5;s7;s7;s9;d10;s10;s12;s13;d14;s14;s12s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22ClN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.88435
Area:569.006
Solvation:-4.34079
Coulombic:-48.6796
Bond Count [?]
All:25
Single:19
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:351.828
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.71
LogP (Chemaxon):1.78

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