Chemical ID: 5691286

c1ccnc(c1)C(=O)NCc2ccc(cc2)F
Chemical ID:
5691286
Name [?]:
N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C13H11FN2O/c14-11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h1-8H,9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,16,13,15,3,10,11,14,5,7,17,4,9,8/E:(4,5)(6,7)/rA:17nCCCNCCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11FN2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.7745
Area:416.387
Solvation:-2.63519
Coulombic:-33.3152
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:230.238
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.13
LogP (Chemaxon):1.95

Name Annotations

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Descriptor Annotations

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