Chemical ID: 6001732

CCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2cccc(c2)C(F)(F)F
Chemical ID:
6001732
Name [?]:
N-butyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-3-(trifluoromethyl)benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C18H20F3N3O3/c1-3-4-8-24(11-16(25)22-15-9-12(2)27-23-15)17(26)13-6-5-7-14(10-13)18(19,20)21/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,15,2,3,20,19,21,4,11,23,6,12,18,22,10,7,16,24,25,26,27,9,14,5,8,17,13/E:(19,20,21)/rA:27nCCCCNCCONCCCONCCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d10s13;s12;s5;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20F3N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.77437
Area:578.602
Solvation:-4.69067
Coulombic:-60.3166
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.365
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):3.58

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Descriptor Annotations

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