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Chemical ID: 5385045
Chemical ID:
5385045
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-(4-methoxyphenyl)-methyl]-benzamide
SMILES [?]:
COc1ccc(cc1)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C22H18F2N2O3/c1-29-15-12-10-14(11-13-15)20(25-21(27)16-6-2-4-8-18(16)23)26-22(28)17-7-3-5-9-19(17)24/h2-13,20H,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,15,25,16,26,14,24,17,27,5,7,4,8,6,3,13,23,18,28,9,11,21,19,29,10,20,12,22,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:29nCOCCCCCCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s9;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18F2N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.10988 |
Area: | 599.879 |
Solvation: | -7.88709 |
Coulombic: | -57.4341 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.83 |
LogP (Chemaxon): | 3.85 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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