Chemical ID: 6390120

CC(=NNC(=O)c1ccc(o1)Br)c2cccc(c2)NC(=O)C(F)(F)F
Chemical ID:
6390120
Name [?]:
5-bromo-N-[1-[3-(2,2,2-trifluoroacetyl)aminophenyl]ethylideneamino]furan-2-carboxamide
SMILES [?]:
CC(=NNC(=O)c1ccc(o1)Br)c2cccc(c2)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C15H11BrF3N3O3/c1-8(21-22-13(23)11-5-6-12(16)25-11)9-3-2-4-10(7-9)20-14(24)15(17,18)19/h2-7H,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,8,9,18,2,13,17,7,10,5,20,22,12,23,24,25,19,3,4,6,21,11/E:(17,18,19)/rA:25nCCNNCOCCCCOBrCCCCCCNCOCFFF/rB:s1;w2;s3;s4;d5;s5;d7;s8;d9;s7s10;s10;s2;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrF3N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.5081
Area:555.048
Solvation:-4.36809
Coulombic:-70.6395
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:418.165
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.6
LogP (Chemaxon):2.69

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