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Chemical ID: 4210844
Chemical ID:
4210844
Name [?]:
2-[2-(2,5-dimethylphenoxy)acetyl]aminobenzamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccccc2C(=O)N)C
InChi [?]:
InChI=1/C17H18N2O3/c1-11-7-8-12(2)15(9-11)22-10-16(20)19-14-6-4-3-5-13(14)17(18)21/h3-9H,10H2,1-2H3,(H2,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,17,14,3,4,7,9,2,5,18,13,6,10,19,21,12,11,20,8/rA:22nCCCCCCCOCCONCCCCCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38562 |
Area: | 505.714 |
Solvation: | -4.25724 |
Coulombic: | -54.9472 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.336 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.65 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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