Chemical ID: 4487302

COc1cccc(c1)C(=O)Nc2c(cccc2F)F
Chemical ID:
4487302
Name [?]:
N-(2,6-difluorophenyl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)Nc2c(cccc2F)F
InChi [?]:
InChI=1/C14H11F2NO2/c1-19-10-5-2-4-9(8-10)14(18)17-13-11(15)6-3-7-12(13)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,15,6,4,14,16,8,7,3,13,17,12,9,19,18,11,10,2/E:(6,7)(11,12)(15,16)/rA:19nCOCCCCCCCONCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F2NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.88699
Area:429.759
Solvation:-4.857
Coulombic:-36.4172
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.239
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.23
LogP (Chemaxon):1.83

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