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Chemical ID: 7257482
Chemical ID:
7257482
Name [?]:
2-(3-acetylphenyl)amino-N-(2-cyanophenyl)-acetamide
SMILES [?]:
CC(=O)c1cccc(c1)NCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C17H15N3O2/c1-12(21)13-6-4-7-15(9-13)19-11-17(22)20-16-8-3-2-5-14(16)10-18/h2-9,19H,11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,18,17,6,19,5,7,16,9,21,11,2,4,20,8,15,12,22,10,14,3,13/rA:22nCCOCCCCCCNCCONCCCCCCCN/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O2 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23472 |
Area: | 523.824 |
Solvation: | -3.86089 |
Coulombic: | -43.7123 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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