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Chemical ID: 7345829
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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