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Chemical ID: 7263631
Chemical ID:
7263631
Name [?]:
N-(5-acetamido-2-methoxy-phenyl)-4-cyano-benzamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)NC(=O)c2ccc(cc2)C#N)OC
InChi [?]:
InChI=1/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)20-17(22)13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,16,18,15,19,6,7,10,20,2,17,14,5,9,8,12,21,4,11,3,13,22/E:(3,4)(5,6)/rA:23nCCONCCCCCCNCOCCCCCCCNOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;t20;s8;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O3 |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93406 |
Area: | 532.614 |
Solvation: | -4.3813 |
Coulombic: | -51.3482 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.319 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.89 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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