Chemical ID: 5726746

CCc1cc(ccc1NC(=O)Cc2ccccc2)I
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

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Descriptor Annotations

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