Chemical ID: 4152303

Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccccc2F
Chemical ID:
4152303
Name [?]:
N-(2-fluorophenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C18H20FNO2/c1-12(2)15-9-8-14(10-13(15)3)22-11-18(21)20-17-7-5-4-6-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:9,10,1,19,18,20,17,5,6,3,12,8,2,4,7,21,16,13,22,15,14,11/E:(1,2)/rA:22nCCCCCCCCCCOCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20FNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.61488
Area:513.159
Solvation:-4.21409
Coulombic:-34.0304
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:4.68
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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