Chemical ID: 7345829

c1cc(ccc1C#N)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)C(=O)N
Chemical ID:
7345829
Name [?]:
4-[2-[4-(4-cyanophenyl)phenoxy]acetyl]aminobenzamide
SMILES [?]:
c1cc(ccc1C#N)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)C(=O)N
InChi [?]:
InChI=1/C22H17N3O3/c23-13-15-1-3-16(4-2-15)17-7-11-20(12-8-17)28-14-21(26)25-19-9-5-18(6-10-19)22(24)27/h1-12H,14H2,(H2,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,22,24,10,14,21,25,11,13,7,16,6,3,9,23,20,12,17,26,8,28,19,18,27,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCCCNCCCCCCOCCONCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17N3O3
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.72449
Area:625.439
Solvation:-5.91149
Coulombic:-58.0981
Bond Count [?]
All:30
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.389
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.22
LogP (Chemaxon):3.03

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Descriptor Annotations

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