Chemical ID: 7155303

Cn1c(c(c(n1)C(=O)NC2CCCCCCC2)Cl)C(F)(F)F
Chemical ID:
7155303
Name [?]:
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC2CCCCCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H19ClF3N3O/c1-21-12(14(16,17)18)10(15)11(20-21)13(22)19-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,11,17,10,4,5,3,7,19,18,20,21,22,9,6,2,8/E:(3,4)(5,6)(7,8)(16,17,18)/rA:22nCNCCCNCONCCCCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s15;s10s16;s4;s3;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19ClF3N3O
All Atoms:41
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.84855
Area:483.767
Solvation:-2.24562
Coulombic:-47.4996
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.768
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):3.16

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