Chemical ID: 4146104

Cc1ccc(c(c1)OCC(=O)Nc2ccccc2F)C(C)C
Chemical ID:
4146104
Name [?]:
N-(2-fluorophenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccccc2F)C(C)C
InChi [?]:
InChI=1/C18H20FNO2/c1-12(2)14-9-8-13(3)10-17(14)22-11-18(21)20-16-7-5-4-6-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,16,15,17,14,3,4,7,9,20,2,5,18,13,6,10,19,12,11,8/E:(1,2)/rA:22nCCCCCCCOCCONCCCCCCFCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s5;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20FNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.66392
Area:512.654
Solvation:-4.15242
Coulombic:-34.2258
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:301.355
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):4.03

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Descriptor Annotations

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