Chemical ID: 6652154

Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccccc2C(F)(F)F
Chemical ID:
6652154
Name [?]:
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C18H16F3N3O2/c1-12-5-4-7-13(9-12)17(26)22-11-16(25)24-23-10-14-6-2-3-8-15(14)18(19,20)21/h2-10H,11H2,1H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,19,20,4,3,18,5,21,7,16,11,2,6,17,22,12,8,23,24,25,26,10,15,14,13,9/E:(19,20,21)/rA:26nCCCCCCCCONCCONNCCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16F3N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.56047
Area:562.617
Solvation:-4.50496
Coulombic:-59.9994
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:363.334
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.53
LogP (Chemaxon):3.52

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