Chemical ID: 7269609

Cc1cc(ccc1NC(=O)CCCOc2ccc(cc2)Br)F
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

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Descriptor Annotations

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