Chemical ID: 7503037

CCCCOc1cccc(c1)C(=O)Nc2ccc(cc2)F
Chemical ID:
7503037
Name [?]:
3-butoxy-N-(4-fluorophenyl)-benzamide
SMILES [?]:
CCCCOc1cccc(c1)C(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C17H18FNO2/c1-2-3-11-21-16-6-4-5-13(12-16)17(20)19-15-9-7-14(18)8-10-15/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,9,7,17,19,16,20,4,11,10,18,15,6,12,21,14,13,5/E:(7,8)(9,10)/rA:21nCCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FNO2
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.76574
Area:504.345
Solvation:-3.84289
Coulombic:-33.7734
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.329
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.42
LogP (Chemaxon):4.2

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