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Chemical ID: 7260161
Chemical ID:
7260161
Name [?]:
4-(2-ethoxyphenoxy)-N-(5-fluoro-2-methyl-phenyl)-butanamide
SMILES [?]:
CCOc1ccccc1OCCCC(=O)Nc2cc(ccc2C)F
InChi [?]:
InChI=1/C19H22FNO3/c1-3-23-17-7-4-5-8-18(17)24-12-6-9-19(22)21-16-13-15(20)11-10-14(16)2/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,7,12,5,8,13,21,20,11,18,22,19,17,4,9,14,24,16,15,3,10/rA:24nCCOCCCCCCOCCCCONCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22FNO3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58208 |
Area: | 564.322 |
Solvation: | -6.52598 |
Coulombic: | -38.0525 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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