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Chemical ID: 6676685
Chemical ID:
6676685
Name [?]:
2-(2-chlorophenoxy)-N-(4-fluorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)F)Cl
InChi [?]:
InChI=1/C14H11ClFNO2/c15-12-3-1-2-4-13(12)19-9-14(18)17-11-7-5-10(16)6-8-11/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,14,16,13,17,8,15,12,4,5,9,19,18,11,10,7/E:(5,6)(7,8)/rA:19nCCCCCCOCCONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClFNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.4508 |
Area: | 459.051 |
Solvation: | -5.02547 |
Coulombic: | -32.4396 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.694 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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