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Chemical ID: 6619011
Chemical ID:
6619011
Name [?]:
(4-fluorophenyl)methyl 2-benzamidobenzoate
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccccc2C(=O)OCc3ccc(cc3)F
InChi [?]:
InChI=1/C21H16FNO3/c22-17-12-10-15(11-13-17)14-26-21(25)18-8-4-5-9-19(18)23-20(24)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,21,25,22,24,19,20,4,23,15,10,7,16,26,9,8,17,18/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCONCCCCCCCOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16FNO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7729 |
Area: | 562.126 |
Solvation: | -3.28031 |
Coulombic: | -48.7409 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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