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Chemical ID: 3929897
Chemical ID:
3929897
Name [?]:
3-fluoro-N-(4-methyl-6-propanoylamino-3-pyridyl)-benzamide
SMILES [?]:
CCC(=O)Nc1cc(c(cn1)NC(=O)c2cccc(c2)F)C
InChi [?]:
InChI=1/C16H16FN3O2/c1-3-15(21)20-14-7-10(2)13(9-18-14)19-16(22)11-5-4-6-12(17)8-11/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,16,18,7,20,10,8,15,19,9,6,3,13,21,11,12,5,4,14/rA:22nCCCONCCCCCNNCOCCCCCCFC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36756 |
Area: | 501.216 |
Solvation: | -5.16283 |
Coulombic: | -47.5674 |
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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