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Chemical ID: 3930029
Chemical ID:
3930029
Name [?]:
2-fluoro-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridyl]-benzamide
SMILES [?]:
Cc1cc(ncc1NC(=O)c2ccccc2F)NC(=O)C(C)C
InChi [?]:
InChI=1/C17H18FN3O2/c1-10(2)16(22)21-15-8-11(3)14(9-19-15)20-17(23)12-6-4-5-7-13(12)18/h4-10H,1-3H3,(H,20,23)(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,13,14,12,15,3,6,21,2,11,16,7,4,19,9,17,5,8,18,20,10/E:(1,2)/rA:23nCCCCNCCNCOCCCCCCFNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s4;s18;d19;s19;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.27357 |
Area: | 516.537 |
Solvation: | -5.63985 |
Coulombic: | -47.693 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.342 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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