Chemical ID: 6651876

c1ccc(c(c1)C=NNC(=O)CNC(=O)c2cccc(c2)Cl)C(F)(F)F
Chemical ID:
6651876
Name [?]:
3-chloro-N-[[2-(trifluoromethyl)phenyl]methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)CNC(=O)c2cccc(c2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C17H13ClF3N3O2/c18-13-6-3-5-11(8-13)16(26)22-10-15(25)24-23-9-12-4-1-2-7-14(12)17(19,20)21/h1-9H,10H2,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,17,19,3,21,7,12,16,5,20,4,10,14,23,22,24,25,26,13,8,9,11,15/E:(19,20,21)/rA:26nCCCCCCCNNCOCNCOCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClF3N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.93283
Area:578.1
Solvation:-4.51966
Coulombic:-60.0634
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:383.752
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.71
LogP (Chemaxon):3.57

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