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Chemical ID: 7521696
Chemical ID:
7521696
Name [?]:
4-methyl-N-(o-tolylcarbamoylmethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C17H18N2O2/c1-12-7-9-14(10-8-12)17(21)18-11-16(20)19-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,18,17,19,16,3,7,4,6,11,2,20,5,15,12,8,10,14,13,9/E:(7,8)(9,10)/rA:21nCCCCCCCCONCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.93038 |
Area: | 502.375 |
Solvation: | -2.62899 |
Coulombic: | -44.1958 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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