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Chemical ID: 6883702
Chemical ID:
6883702
Name [?]:
N-(4-fluorophenyl)-4-(1-naphthylcarbamoylmethoxy)benzamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)COc3ccc(cc3)C(=O)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C25H19FN2O3/c26-19-10-12-20(13-11-19)27-25(30)18-8-14-21(15-9-18)31-16-24(29)28-23-7-3-5-17-4-1-2-6-22(17)23/h1-15H,16H2,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,18,20,27,29,26,30,17,21,14,5,19,28,25,16,4,10,12,22,31,24,11,13,23,15/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCCCNCOCOCCCCCCCONCCCCCCF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19FN2O3 |
All Atoms: | 50 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96235 |
Area: | 644.43 |
Solvation: | -6.14841 |
Coulombic: | -54.6083 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 414.428 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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