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Chemical ID: 6604857
Chemical ID:
6604857
Name [?]:
2-chloro-N-(2-ethoxyphenyl)-2-phenyl-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)C(c2ccccc2)Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-2-20-14-11-7-6-10-13(14)18-16(19)15(17)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,7,6,15,19,8,5,14,9,4,13,11,20,10,12,3/E:(4,5)(8,9)/rA:20cCCOCCCCCCNCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.26793 |
Area: | 490.444 |
Solvation: | -2.99315 |
Coulombic: | -31.6602 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.34 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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