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Chemical ID: 7495024
Chemical ID:
7495024
Name [?]:
N-(3-cyanophenyl)-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C16H14N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-14-5-3-4-12(10-14)11-17/h3-10H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,14,6,8,5,9,18,19,17,7,13,4,10,20,12,11,3/E:(6,7)(8,9)/rA:20nCCOCCCCCCCONCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79438 |
Area: | 485.512 |
Solvation: | -3.34341 |
Coulombic: | -32.9059 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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