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Chemical ID: 7171098
Chemical ID:
7171098
Name [?]:
N-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ccc(c(c2)OC)OC(F)F
InChi [?]:
InChI=1/C16H15F2NO3/c1-10-5-3-4-6-12(10)15(20)19-11-7-8-13(22-16(17)18)14(9-11)21-2/h3-9,16H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,4,5,3,6,12,13,16,2,11,7,14,15,8,20,21,22,10,9,17,19/E:(17,18)/rA:22nCCCCCCCCONCCCCCCOCOCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15F2NO3 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.85703 |
Area: | 475.416 |
Solvation: | -5.02838 |
Coulombic: | -48.9297 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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