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Chemical ID: 5753742
Chemical ID:
5753742
Name [?]:
N-(2,4-dimethoxyphenyl)benzamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C15H15NO3/c1-18-12-8-9-13(14(10-12)19-2)16-15(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,15,19,4,5,8,14,3,6,7,12,11,13,2,9/E:(4,5)(6,7)/rA:19nCOCCCCCCOCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66891 |
Area: | 450.977 |
Solvation: | -3.60552 |
Coulombic: | -37.7596 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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