Chemical ID: 7423028

CC1(C2CCC1(C(=O)C2=O)C(=O)Nc3cccc(c3)C(F)(F)F)C
Chemical ID:
7423028
Name [?]:
7,7-dimethyl-2,3-dioxo-N-[3-(trifluoromethyl)phenyl]-norbornane-1-carboxamide
SMILES [?]:
CC1(C2CCC1(C(=O)C2=O)C(=O)Nc3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C17H16F3NO3/c1-15(2)11-6-7-16(15,13(23)12(11)22)14(24)21-10-5-3-4-9(8-10)17(18,19)20/h3-5,8,11H,6-7H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,15,4,5,19,18,14,3,9,7,11,2,6,20,21,22,23,13,10,8,12/E:(1,2)(18,19,20)/rA:24cCCCCCCCOCOCONCCCCCCCFFFC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16F3NO3
All Atoms:40
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:7.92721
Area:483.311
Solvation:-4.15555
Coulombic:-54.7283
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.309
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):4.91

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