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Chemical ID: 5726746
Chemical ID:
5726746
Name [?]:
N-(2-ethyl-4-iodo-phenyl)-2-phenyl-acetamide
SMILES [?]:
CCc1cc(ccc1NC(=O)Cc2ccccc2)I
InChi [?]:
InChI=1/C16H16INO/c1-2-13-11-14(17)8-9-15(13)18-16(19)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,18,6,7,12,4,13,3,5,8,10,19,9,11/E:(4,5)(6,7)/rA:19nCCCCCCCCNCOCCCCCCCI/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16INO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0138 |
Area: | 488.486 |
Solvation: | -2.19835 |
Coulombic: | -22.1014 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.209 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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