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Chemical ID: 6943471
Chemical ID:
6943471
Name [?]:
N-(2,4-difluorophenyl)-3-ethoxy-benzamide
SMILES [?]:
CCOc1cccc(c1)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C15H13F2NO2/c1-2-20-12-5-3-4-10(8-12)15(19)18-14-7-6-11(16)9-13(14)17/h3-9H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,15,14,9,17,8,16,4,18,13,10,20,19,12,11,3/rA:20nCCOCCCCCCCONCCCCCCFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13F2NO2 |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18193 |
Area: | 455.796 |
Solvation: | -4.21297 |
Coulombic: | -36.4752 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.266 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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