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Chemical ID: 5506181
Chemical ID:
5506181
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-2-(2-diethylaminoethylamino)acetamide
SMILES [?]:
CCN(CC)CCNCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C21H26ClN3O2/c1-3-25(4-2)13-12-23-15-20(26)24-19-11-10-17(22)14-18(19)21(27)16-8-6-5-7-9-16/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,24,23,25,22,26,15,14,7,6,17,9,21,16,18,13,10,19,27,8,12,3,11,20/E:(1,2)(3,4)(6,7)(8,9)/rA:27nCCNCCCCNCCONCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7124 |
Area: | 648.356 |
Solvation: | -3.49652 |
Coulombic: | -44.9414 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 387.903 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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