Chemical ID: 6700882

Cc1ccc2cc(ccc2[nH+]1)NC(=O)c3ccccc3F
Chemical ID:
6700882
Name [?]:
2-fluoro-N-(2-methyl-1H-quinolin-6-yl)-benzamide
SMILES [?]:
Cc1ccc2cc(ccc2[nH+]1)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C17H13FN2O/c1-11-6-7-12-10-13(8-9-16(12)19-11)20-17(21)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,3,4,8,9,6,2,5,7,15,20,10,13,21,11,12,14/rA:21nCCCCCCCCCCN+NCOCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN2O+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-20.8629
Area:460.091
Solvation:-32.3652
Coulombic:-19.3869
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.304
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.57
LogP (Chemaxon):3.5

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