Chemical ID: 5506181

CCN(CC)CCNCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
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

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Descriptor Annotations

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