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Chemical ID: 7293744
Chemical ID:
7293744
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C16H15ClFNO2/c1-2-11-4-3-5-13(8-11)21-10-16(20)19-12-6-7-15(18)14(17)9-12/h3-9H,2,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,15,16,8,19,10,3,14,7,18,17,11,20,21,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCClF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClFNO2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98866 |
Area: | 510.604 |
Solvation: | -4.77643 |
Coulombic: | -32.5554 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.747 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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