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Chemical ID: 7357783
Chemical ID:
7357783
Name [?]:
4-[2-(3-cyanophenoxy)acetyl]aminobenzamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)Nc2ccc(cc2)C(=O)N)C#N
InChi [?]:
InChI=1/C16H13N3O3/c17-9-11-2-1-3-14(8-11)22-10-15(20)19-13-6-4-12(5-7-13)16(18)21/h1-8H,10H2,(H2,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,16,13,17,4,21,8,3,15,12,5,9,18,22,20,11,10,19,7/E:(4,5)(6,7)/rA:22nCCCCCCOCCONCCCCCCCONCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s3;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N3O3 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40376 |
Area: | 519.907 |
Solvation: | -5.59392 |
Coulombic: | -56.4395 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.293 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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