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Chemical ID: 5550567
Chemical ID:
5550567
Name [?]:
4-(4-acetylphenoxy)-N-(4-fluorophenyl)-butanamide
SMILES [?]:
CC(=O)c1ccc(cc1)OCCCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C18H18FNO3/c1-13(21)14-4-10-17(11-5-14)23-12-2-3-18(22)20-16-8-6-15(19)7-9-16/h4-11H,2-3,12H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,12,13,5,9,19,21,18,22,6,8,11,2,4,20,17,7,14,23,16,3,15,10/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCOCCCCCCOCCCCONCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18FNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94273 |
Area: | 541.812 |
Solvation: | -5.60257 |
Coulombic: | -37.9219 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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