Chemical ID: 6006194

CCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)c3ccccc3C
Chemical ID:
6006194
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-ethyl-2-methyl-benzamide
SMILES [?]:
CCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)c3ccccc3C
InChi [?]:
InChI=1/C21H22ClN3O3/c1-3-23(21(28)18-7-5-4-6-15(18)2)12-19(26)24-13-20(27)25(14-24)17-10-8-16(22)9-11-17/h4-11H,3,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,25,24,26,23,15,17,14,18,4,8,12,27,16,13,22,5,9,20,19,3,7,11,6,10,21/E:(8,9)(10,11)/rA:28nCCNCCONCCONCCCCCCCClCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s7s11;s11;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2257
Area:615.192
Solvation:-4.15411
Coulombic:-51.405
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:399.871
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.17
LogP (Chemaxon):2.73

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