Chemical ID: 4149712

Cc1cccc(c1OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl)C
Chemical ID:
4149712
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl)C
InChi [?]:
InChI=1/C23H20ClNO3/c1-15-7-6-8-16(2)23(15)28-14-21(26)25-20-12-11-18(24)13-19(20)22(27)17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,24,23,25,4,3,5,22,26,15,14,17,9,2,6,21,16,18,13,10,19,7,27,12,11,20,8/E:(1,2)(4,5)(7,8)(9,10)(15,16)/rA:28nCCCCCCCOCCONCCCCCCCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20ClNO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3339
Area:621.574
Solvation:-4.20541
Coulombic:-40.1192
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:5.73
LogP (Chemaxon):6.2

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Descriptor Annotations

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