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Chemical ID: 4213450
Chemical ID:
4213450
Name [?]:
N-(2,4-difluorophenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C17H17F2NO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,17,6,8,16,19,11,2,4,18,7,20,15,12,22,21,14,13,10/E:(1,2)(3,4)(6,7)/rA:22nCCCCCCCCCOCCONCCCCCCFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17F2NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50074 |
Area: | 500.106 |
Solvation: | -5.00191 |
Coulombic: | -36.3046 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.4 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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