Chemical ID: 5496280

c1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)F)F
Chemical ID:
5496280
Name [?]:
N-(3,4-difluorophenyl)-2-(4-phenylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C20H15F2NO2/c21-18-11-8-16(12-19(18)22)23-20(24)13-25-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,19,9,11,20,23,14,4,7,18,10,21,22,15,25,24,17,16,13/E:(2,3)(4,5)(6,7)(9,10)/rA:25nCCCCCCCCCCCCOCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15F2NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.5075
Area:542.3
Solvation:-6.05
Coulombic:-36.772
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.335
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.94
LogP (Chemaxon):4.84

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Descriptor Annotations

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