Chemical ID: 5500553

Cc1cccc(c1)OC(C)C(=O)Nc2ccc(cc2F)F
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

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