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Chemical ID: 6870108
Chemical ID:
6870108
Name [?]:
2-anilino-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CNc2ccccc2
InChi [?]:
InChI=1/C16H18N2O/c1-2-13-8-10-15(11-9-13)18-16(19)12-17-14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,19,4,8,5,7,12,3,14,6,10,13,9,11/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCCCCCCCNCOCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31485 |
Area: | 473.433 |
Solvation: | -2.52098 |
Coulombic: | -34.2207 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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