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Chemical ID: 6943329
Chemical ID:
6943329
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C17H17ClFNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-13-5-8-16(19)15(18)9-13/h3-9,11H,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,16,6,8,17,20,11,2,4,15,7,19,18,12,21,22,14,13,10/E:(1,2)(3,4)(6,7)/rA:22nCCCCCCCCCOCCONCCCCCCClF/rB:s1;s2;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: | C17H17ClFNO2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44816 |
Area: | 529.037 |
Solvation: | -4.77776 |
Coulombic: | -32.8061 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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