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Chemical ID: 4445898
Chemical ID:
4445898
Name [?]:
2-(2,3-dimethylphenoxy)-N-(4-fluorophenyl)-propanamide
SMILES [?]:
Cc1cccc(c1C)OC(C)C(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C17H18FNO2/c1-11-5-4-6-16(12(11)2)21-13(3)17(20)19-15-9-7-14(18)8-10-15/h4-10,13H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,11,4,3,5,17,19,16,20,2,7,10,18,15,6,12,21,14,13,9/E:(7,8)(9,10)/rA:21cCCCCCCCCOCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.64389 |
Area: | 480.24 |
Solvation: | -4.36212 |
Coulombic: | -32.9298 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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