Chemical ID: 6942942

Cc1cccc(c1C)OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl
Chemical ID:
6942942
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-2-(2,3-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C23H20ClNO3/c1-15-7-6-10-21(16(15)2)28-14-22(26)25-20-12-11-18(24)13-19(20)23(27)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,26,4,3,23,27,5,16,15,18,10,2,7,22,17,19,14,6,11,20,28,13,12,21,9/E:(4,5)(8,9)/rA:28nCCCCCCCCOCCONCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20ClNO3
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1488
Area:623.737
Solvation:-4.44462
Coulombic:-39.5432
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.863
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.94
LogP (Chemaxon):6.2

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