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Chemical ID: 7269609
Chemical ID:
7269609
Name [?]:
4-(4-bromophenoxy)-N-(4-fluoro-2-methyl-phenyl)-butanamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CCCOc2ccc(cc2)Br)F
InChi [?]:
InChI=1/C17H17BrFNO2/c1-12-11-14(19)6-9-16(12)20-17(21)3-2-10-22-15-7-4-13(18)5-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,12,11,17,19,5,16,20,6,13,3,2,18,4,15,7,9,21,22,8,10,14/E:(4,5)(7,8)/rA:22nCCCCCCCNCOCCCOCCCCCCBrF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17BrFNO2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90245 |
Area: | 529.947 |
Solvation: | -4.34622 |
Coulombic: | -31.2654 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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