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Chemical ID: 4160411
Chemical ID:
4160411
Name [?]:
4-(2,4-dimethylphenoxy)-N-(4-fluorophenyl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C18H20FNO2/c1-13-5-10-17(14(2)12-13)22-11-3-4-18(21)20-16-8-6-15(19)7-9-16/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,11,12,3,18,20,17,21,4,10,7,2,6,19,16,5,13,22,15,14,9/E:(6,7)(8,9)/rA:22nCCCCCCCCOCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73674 |
Area: | 525.712 |
Solvation: | -4.40606 |
Coulombic: | -31.294 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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