Chemical ID: 7277153

c1ccc(c(c1)C#N)NC(=O)COc2ccc(cc2)C(=O)c3ccc(cc3)Cl
Chemical ID:
7277153
Name [?]:
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)COc2ccc(cc2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H15ClN2O3/c23-18-9-5-15(6-10-18)22(27)16-7-11-19(12-8-16)28-14-21(26)25-20-4-2-1-3-17(20)13-24/h1-12H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,27,16,18,24,26,15,19,7,12,22,17,5,25,14,4,10,20,28,8,9,11,21,13/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCCCNNCOCOCCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClN2O3
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8014
Area:632.694
Solvation:-5.01594
Coulombic:-42.5363
Bond Count [?]
All:30
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:390.819
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.0
LogP (Chemaxon):4.43

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