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Chemical ID: 4487302
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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