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Chemical ID: 7266470
Chemical ID:
7266470
Name [?]:
N-[4-[(3-fluorophenyl)carbamoylmethoxy]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C21H17FN2O3/c22-16-7-4-8-18(13-16)23-20(25)14-27-19-11-9-17(10-12-19)24-21(26)15-5-2-1-3-6-15/h1-13H,14H2,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,3,5,24,22,11,15,12,14,26,17,4,25,10,21,13,18,7,27,20,9,19,8,16/E:(2,3)(5,6)(9,10)(11,12)/rA:27nCCCCCCCONCCCCCCOCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17FN2O3 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85348 |
Area: | 588.514 |
Solvation: | -5.85937 |
Coulombic: | -53.9366 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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