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Chemical ID: 7268128
Chemical ID:
7268128
Name [?]:
N-(3-ethoxypropyl)-2-[4-(4-fluorobenzoyl)phenoxy]-acetamide
SMILES [?]:
CCOCCCNC(=O)COc1ccc(cc1)C(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C20H22FNO4/c1-2-25-13-3-12-22-19(23)14-26-18-10-6-16(7-11-18)20(24)15-4-8-17(21)9-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,5,21,25,14,16,22,24,13,17,6,4,10,20,15,23,12,8,18,26,7,9,19,3,11/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCOCCCNCOCOCCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22FNO4 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00488 |
Area: | 614.253 |
Solvation: | -7.35144 |
Coulombic: | -48.6453 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 359.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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