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Chemical ID: 7315387
Chemical ID:
7315387
Name [?]:
2-[4-(4-fluorobenzoyl)phenoxy]propanamide
SMILES [?]:
CC(C(=O)N)Oc1ccc(cc1)C(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H14FNO3/c1-10(16(18)20)21-14-8-4-12(5-9-14)15(19)11-2-6-13(17)7-3-11/h2-10H,1H3,(H2,18,20)
InChi Info:
AuxInfo=1/1/N:1,16,20,9,11,17,19,8,12,2,15,10,18,7,13,3,21,5,14,4,6/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCCCONOCCCCCCCOCCCCCCF/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.60249 |
Area: | 477.222 |
Solvation: | -5.32805 |
Coulombic: | -46.3137 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.286 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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