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Chemical ID: 3963527
Chemical ID:
3963527
Name [?]:
N-(5-butanoylamino-2-pyridyl)-2-fluoro-benzamide
SMILES [?]:
CCCC(=O)Nc1ccc(nc1)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C16H16FN3O2/c1-2-5-15(21)19-11-8-9-14(18-10-11)20-16(22)12-6-3-4-7-13(12)17/h3-4,6-10H,2,5H2,1H3,(H,19,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,3,17,20,8,9,12,7,16,21,10,4,14,22,11,6,13,5,15/rA:22nCCCCONCCCCNCNCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.10291 |
Area: | 505.28 |
Solvation: | -5.52909 |
Coulombic: | -47.5842 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.316 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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