Chemical ID: 6002491

CC(C)CCN(CC(=O)Nc1ccon1)C(=O)c2ccccc2F
Chemical ID:
6002491
Name [?]:
2-fluoro-N-isopentyl-N-(isoxazol-3-ylcarbamoylmethyl)benzamide
SMILES [?]:
CC(C)CCN(CC(=O)Nc1ccon1)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C17H20FN3O3/c1-12(2)7-9-21(11-16(22)19-15-8-10-24-20-15)17(23)13-5-3-4-6-14(13)18/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,19,22,4,12,5,13,7,2,18,23,11,8,16,24,10,15,6,9,17,14/E:(1,2)/rA:24nCCCCCNCCONCCCONCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d11s14;s6;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.07555
Area:537.38
Solvation:-5.35897
Coulombic:-44.7087
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.358
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.37
LogP (Chemaxon):3.15

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