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Chemical ID: 4291508
Chemical ID:
4291508
Name [?]:
N-[1-(4-fluorophenyl)-2-phenyl-ethyl]-N-phenyl-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)CC(c2ccc(cc2)F)N(c3ccccc3)C(=O)c4ccco4
InChi [?]:
InChI=1/C25H20FNO2/c26-21-15-13-20(14-16-21)23(18-19-8-3-1-4-9-19)27(22-10-5-2-6-11-22)25(28)24-12-7-17-29-24/h1-17,23H,18H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,27,3,5,18,22,26,10,14,11,13,28,7,4,9,12,17,8,25,23,15,16,24,29/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:29cCCCCCCCCCCCCCCFNCCCCCCCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;s16;s17;d18;s19;d20;d17s21;s16;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20FNO2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3082 |
Area: | 550.925 |
Solvation: | -3.46498 |
Coulombic: | -33.5079 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.43 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.68 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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