Chemical ID: 4211285

CCCCOc1cccc(c1)C(=O)Nc2ccccc2F
Chemical ID:
4211285
Name [?]:
3-butoxy-N-(2-fluorophenyl)-benzamide
SMILES [?]:
CCCCOc1cccc(c1)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H18FNO2/c1-2-3-11-21-14-8-6-7-13(12-14)17(20)19-16-10-5-4-9-15(16)18/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,17,8,9,7,19,16,4,11,10,6,20,15,12,21,14,13,5/rA:21nCCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.19641
Area:503.194
Solvation:-3.38344
Coulombic:-35.1683
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):3.55

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