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Chemical ID: 3929927
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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