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Chemical ID: 7300059
Chemical ID:
7300059
Name [?]:
2-(4-acetylphenoxy)-N-(3-chloro-4-fluoro-phenyl)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C16H13ClFNO3/c1-10(20)11-2-5-13(6-3-11)22-9-16(21)19-12-4-7-15(18)14(17)8-12/h2-8H,9H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,5,9,16,6,8,17,20,11,2,4,15,7,19,18,12,21,22,14,3,13,10/E:(2,3)(5,6)/rA:22nCCOCCCCCCOCCONCCCCCCClF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClFNO3 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08678 |
Area: | 522.187 |
Solvation: | -5.96791 |
Coulombic: | -38.6684 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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