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Chemical ID: 7325492
Chemical ID:
7325492
Name [?]:
4-(4-cyanobenzoyl)amino-N,N-dimethyl-benzamide
SMILES [?]:
CN(C)C(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C17H15N3O2/c1-20(2)17(22)14-7-9-15(10-8-14)19-16(21)13-5-3-12(11-18)4-6-13/h3-10H,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,17,19,16,20,7,11,8,10,21,18,15,6,9,13,4,22,12,2,14,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:22nCNCCOCCCCCCNCOCCCCCCCN/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O2 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46649 |
Area: | 513.267 |
Solvation: | -3.36518 |
Coulombic: | -42.401 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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