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Chemical ID: 7168642
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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