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Chemical ID: 5912171
Chemical ID:
5912171
Name [?]:
N-allyl-4-fluoro-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]benzamide
SMILES [?]:
C=CCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C24H22F2N2O3/c1-2-13-27(24(30)19-7-11-21(26)12-8-19)17-23(29)28(16-22-4-3-14-31-22)15-18-5-9-20(25)10-6-18/h2-12,14H,1,13,15-17H2
InChi Info:
AuxInfo=1/0/N:1,2,20,19,11,15,26,30,12,14,27,29,3,21,9,17,5,10,25,13,28,18,6,23,16,31,4,8,7,24,22/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCCCNCCONCCCCCCCFCCCCCOCOCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22F2N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23306 |
Area: | 612.029 |
Solvation: | -6.06767 |
Coulombic: | -50.178 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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