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Chemical ID: 7020213
Chemical ID:
7020213
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-phenyl-methyl]-benzamide
SMILES [?]:
c1ccc(cc1)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C21H16F2N2O2/c22-17-12-6-4-10-15(17)20(26)24-19(14-8-2-1-3-9-14)25-21(27)16-11-5-7-13-18(16)23/h1-13,19H,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,23,14,24,3,5,12,22,15,25,4,11,21,16,26,7,9,19,17,27,8,18,10,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(17,18)(20,21)(22,23)(24,25)(26,27)/gE:(1,2)/rA:27nCCCCCCCNCOCCCCCCFNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s7;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16F2N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65524 |
Area: | 564.486 |
Solvation: | -6.45692 |
Coulombic: | -51.3362 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.361 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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