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Chemical ID: 7044152
Chemical ID:
7044152
Name [?]:
N-(4-phenylphenyl)-5-[2-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)NC(=O)c3ccc(o3)c4ccccc4C(F)(F)F
InChi [?]:
InChI=1/C24H16F3NO2/c25-24(26,27)20-9-5-4-8-19(20)21-14-15-22(30-21)23(29)28-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15H,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,8,12,9,11,18,17,4,7,10,21,26,19,16,14,27,28,29,30,13,15,20/E:(2,3)(6,7)(10,11)(12,13)(25,26,27)/rA:30nCCCCCCCCCCCCNCOCCCCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16F3NO2 |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5255 |
Area: | 598.164 |
Solvation: | -3.4286 |
Coulombic: | -52.4448 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.51 |
LogP (Chemaxon): | 6.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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