Chemical ID: 6002512

CC(C)CCN(CC(=O)Nc1ccon1)C(=O)c2cccc(c2)F
Chemical ID:
6002512
Name [?]:
3-fluoro-N-isopentyl-N-(isoxazol-3-ylcarbamoylmethyl)benzamide
SMILES [?]:
CC(C)CCN(CC(=O)Nc1ccon1)C(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C17H20FN3O3/c1-12(2)6-8-21(11-16(22)19-15-7-9-24-20-15)17(23)13-4-3-5-14(18)10-13/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,4,12,5,13,23,7,2,18,22,11,8,16,24,10,15,6,9,17,14/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;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.56669
Area:537.864
Solvation:-4.87991
Coulombic:-45.1978
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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