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Chemical ID: 5500553
Chemical ID:
5500553
Name [?]:
N-(2,4-difluorophenyl)-2-(3-methylphenoxy)-propanamide
SMILES [?]:
Cc1cccc(c1)OC(C)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C16H15F2NO2/c1-10-4-3-5-13(8-10)21-11(2)16(20)19-15-7-6-12(17)9-14(15)18/h3-9,11H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,4,3,5,16,15,7,18,2,9,17,6,19,14,11,21,20,13,12,8/rA:21cCCCCCCCOCCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15F2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.31043 |
Area: | 475.295 |
Solvation: | -4.57196 |
Coulombic: | -36.8825 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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