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Chemical ID: 5502261
Chemical ID:
5502261
Name [?]:
3,5-dimethoxy-4-methyl-N-(1-naphthyl)benzamide
SMILES [?]:
Cc1c(cc(cc1OC)C(=O)Nc2cccc3c2cccc3)OC
InChi [?]:
InChI=1/C20H19NO3/c1-13-18(23-2)11-15(12-19(13)24-3)20(22)21-17-10-6-8-14-7-4-5-9-16(14)17/h4-12H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,9,24,21,20,15,22,16,19,14,6,4,2,17,5,18,13,7,3,10,12,11,8,23/E:(2,3)(11,12)(18,19)(23,24)/rA:24nCCCCCCCOCCONCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s3;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58471 |
Area: | 521.405 |
Solvation: | -4.45042 |
Coulombic: | -36.8017 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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