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Chemical ID: 3963546
Chemical ID:
3963546
Name [?]:
3-fluoro-N-(4-methyl-5-pentanoylamino-2-pyridyl)-benzamide
SMILES [?]:
CCCCC(=O)Nc1cnc(cc1C)NC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C18H20FN3O2/c1-3-4-8-17(23)21-15-11-20-16(9-12(15)2)22-18(24)13-6-5-7-14(19)10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,20,19,21,4,12,23,9,13,18,22,8,11,5,16,24,10,7,15,6,17/rA:24nCCCCCONCCNCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FN3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83179 |
Area: | 554.971 |
Solvation: | -5.04248 |
Coulombic: | -48.4192 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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