Chemical ID: 3929896

CCC(=O)Nc1cc(c(cn1)NC(=O)c2ccccc2F)C
Chemical ID:
3929896
Name [?]:
2-fluoro-N-(4-methyl-6-propanoylamino-3-pyridyl)-benzamide
SMILES [?]:
CCC(=O)Nc1cc(c(cn1)NC(=O)c2ccccc2F)C
InChi [?]:
InChI=1/C16H16FN3O2/c1-3-15(21)20-14-8-10(2)13(9-18-14)19-16(22)11-6-4-5-7-12(11)17/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,18,16,19,7,10,8,15,20,9,6,3,13,21,11,12,5,4,14/rA:22nCCCONCCCCCNNCOCCCCCCFC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16FN3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.72185
Area:497.337
Solvation:-5.71158
Coulombic:-47.0003
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:301.316
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.94
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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