Chemical ID: 3963528

CCCC(=O)Nc1cnc(cc1C)NC(=O)c2ccccc2F
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

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Descriptor Annotations

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