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Chemical ID: 7283496
Chemical ID:
7283496
Name [?]:
2-(2-cyanophenyl)amino-N-(4-phenoxyphenyl)-acetamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NC(=O)CNc3ccccc3C#N
InChi [?]:
InChI=1/C21H17N3O2/c22-14-16-6-4-5-9-20(16)23-15-21(25)24-17-10-12-19(13-11-17)26-18-7-2-1-3-8-18/h1-13,23H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,23,3,5,20,10,12,9,13,25,17,24,11,4,8,19,15,26,18,14,16,7/E:(2,3)(7,8)(10,11)(12,13)/rA:26nCCCCCCOCCCCCCNCOCNCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17N3O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3869 |
Area: | 577.494 |
Solvation: | -4.05046 |
Coulombic: | -45.1374 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.379 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.04 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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