Chemical ID: 3929927

CCCC(=O)Nc1cc(c(cn1)NC(=O)c2ccccc2F)C
Chemical ID:
3929927
Name [?]:
N-(6-butanoylamino-4-methyl-3-pyridyl)-2-fluoro-benzamide
SMILES [?]:
CCCC(=O)Nc1cc(c(cn1)NC(=O)c2ccccc2F)C
InChi [?]:
InChI=1/C17H18FN3O2/c1-3-6-16(22)21-15-9-11(2)14(10-19-15)20-17(23)12-7-4-5-8-13(12)18/h4-5,7-10H,3,6H2,1-2H3,(H,20,23)(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,18,19,3,17,20,8,11,9,16,21,10,7,4,14,22,12,13,6,5,15/rA:23nCCCCONCCCCCNNCOCCCCCCFC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.29815
Area:521.002
Solvation:-5.7269
Coulombic:-47.3912
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.342
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):2.8

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Descriptor Annotations

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