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Chemical ID: 7295030
Chemical ID:
7295030
Name [?]:
4-cyano-N-(4-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H14N2O2/c1-2-20-15-9-7-14(8-10-15)18-16(19)13-5-3-12(11-17)4-6-13/h3-10H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,17,14,18,6,8,5,9,19,16,13,7,4,11,20,10,12,3/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCOCCCCCCNCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57861 |
Area: | 485.294 |
Solvation: | -3.55374 |
Coulombic: | -32.703 |
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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