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Chemical ID: 5535027
Chemical ID:
5535027
Name [?]:
4-[2-(4-ethylphenoxy)acetyl]aminobenzamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C17H18N2O3/c1-2-12-3-9-15(10-4-12)22-11-16(20)19-14-7-5-13(6-8-14)17(18)21/h3-10H,2,11H2,1H3,(H2,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,16,18,15,19,5,7,10,3,17,14,6,11,20,22,13,12,21,9/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCOCCONCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07148 |
Area: | 524.936 |
Solvation: | -5.05192 |
Coulombic: | -54.2581 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 298.336 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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