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Chemical ID: 6652154
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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