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Chemical ID: 7503037
Chemical ID:
7503037
Name [?]:
3-butoxy-N-(4-fluorophenyl)-benzamide
SMILES [?]:
CCCCOc1cccc(c1)C(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C17H18FNO2/c1-2-3-11-21-16-6-4-5-13(12-16)17(20)19-15-9-7-14(18)8-10-15/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,9,7,17,19,16,20,4,11,10,18,15,6,12,21,14,13,5/E:(7,8)(9,10)/rA:21nCCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76574 |
Area: | 504.345 |
Solvation: | -3.84289 |
Coulombic: | -33.7734 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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