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Chemical ID: 7010321
Chemical ID:
7010321
Name [?]:
3-(4-methoxyphenyl)-N-(m-tolyl)benzamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2cccc(c2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H19NO2/c1-15-5-3-8-19(13-15)22-21(23)18-7-4-6-17(14-18)16-9-11-20(24-2)12-10-16/h3-14H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,4,13,3,14,12,5,18,22,19,21,7,16,2,17,15,11,6,20,9,8,10,23/E:(9,10)(11,12)/rA:24nCCCCCCCNCOCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO2 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.08 |
Area: | 541.9 |
Solvation: | -3.46745 |
Coulombic: | -31.3229 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.28 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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