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Chemical ID: 4152303
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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