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Chemical ID: 4153204
Chemical ID:
4153204
Name [?]:
N-(4-fluorophenyl)-4-(2-methylphenoxy)-butanamide
SMILES [?]:
Cc1ccccc1OCCCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C17H18FNO2/c1-13-5-2-3-6-16(13)21-12-4-7-17(20)19-15-10-8-14(18)9-11-15/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,10,3,6,11,17,19,16,20,9,2,18,15,7,12,21,14,13,8/E:(8,9)(10,11)/rA:21nCCCCCCCOCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10808 |
Area: | 500.891 |
Solvation: | -4.4142 |
Coulombic: | -31.5316 |
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: | 3.58 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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