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Chemical ID: 5436306
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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