Chemical ID: 5436306

COc1cccc(c1)NC(=O)c2ccc(o2)c3cc(ccc3Cl)C(F)(F)F
Chemical ID:
5436306
Name [?]:
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methoxyphenyl)-furan-2-carboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)c2ccc(o2)c3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C19H13ClF3NO3/c1-26-13-4-2-3-12(10-13)24-18(25)17-8-7-16(27-17)14-9-11(19(21,22)23)5-6-15(14)20/h2-10H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,20,21,14,13,18,8,19,7,3,17,22,15,12,10,24,23,25,26,27,9,11,2,16/E:(21,22,23)/rA:27nCOCCCCCCNCOCCCCOCCCCCCClCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s19;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13ClF3NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.93829
Area:573.131
Solvation:-4.38998
Coulombic:-57.358
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.759
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.11
LogP (Chemaxon):4.65

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