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Chemical ID: 3963528
Chemical ID:
3963528
Name [?]:
N-(5-butanoylamino-4-methyl-2-pyridyl)-2-fluoro-benzamide
SMILES [?]:
CCCC(=O)Nc1cnc(cc1C)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C17H18FN3O2/c1-3-6-16(22)20-14-10-19-15(9-11(14)2)21-17(23)12-7-4-5-8-13(12)18/h4-5,7-10H,3,6H2,1-2H3,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,13,2,19,20,3,18,21,11,8,12,17,22,7,10,4,15,23,9,6,14,5,16/rA:23nCCCCONCCNCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s10;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28711 |
Area: | 522.539 |
Solvation: | -5.77637 |
Coulombic: | -47.3962 |
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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