Chemical ID: 7168642

COc1cc(ccc1OC(F)F)C(=O)NCCCN2CCCC2=O
Chemical ID:
7168642
Name [?]:
4-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILES [?]:
COc1cc(ccc1OC(F)F)C(=O)NCCCN2CCCC2=O
InChi [?]:
InChI=1/C16H20F2N2O4/c1-23-13-10-11(5-6-12(13)24-16(17)18)15(22)19-7-3-9-20-8-2-4-14(20)21/h5-6,10,16H,2-4,7-9H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,21,17,22,6,7,16,20,18,4,5,8,3,23,13,10,11,12,15,19,24,14,2,9/E:(17,18)/rA:24nCOCCCCCCOCFFCONCCCNCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s5;d13;s13;s15;s16;s17;s18;s19;s20;s21;s19s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20F2N2O4
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.41143
Area:547.757
Solvation:-6.28249
Coulombic:-62.8855
Bond Count [?]
All:25
Single:20
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:342.338
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.68
LogP (Chemaxon):0.77

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