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Chemical ID: 4155112
Chemical ID:
4155112
Name [?]:
N-(2-fluorophenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H18FNO2/c1-13-6-4-7-14(12-13)21-11-5-10-17(20)19-16-9-3-2-8-15(16)18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,4,10,3,5,19,16,11,9,7,2,6,20,15,12,21,14,13,8/rA:21nCCCCCCCOCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53382 |
Area: | 502.698 |
Solvation: | -4.03364 |
Coulombic: | -32.8165 |
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: | 3.79 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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