Chemical ID: 4445898

Cc1cccc(c1C)OC(C)C(=O)Nc2ccc(cc2)F
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

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