Chemical ID: 6009774

CCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)C(F)(F)F
Chemical ID:
6009774
Name [?]:
N-ethyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
CCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C16H16F3N3O3/c1-3-22(9-14(23)20-13-8-10(2)25-21-13)15(24)11-4-6-12(7-5-11)16(17,18)19/h4-8H,3,9H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,13,2,17,21,18,20,9,4,10,16,19,8,5,14,22,23,24,25,7,12,3,6,15,11/E:(4,5)(6,7)(17,18,19)/rA:25nCCNCCONCCCONCCOCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d8s11;s10;s3;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F3N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.43342
Area:526.103
Solvation:-4.71916
Coulombic:-59.714
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.312
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.94
LogP (Chemaxon):2.72

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