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Chemical ID: 5383875
Chemical ID:
5383875
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)-(2-fluorobenzoyl)amino-methyl]-2-fluoro-benzamide
SMILES [?]:
CCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C24H22F2N2O4/c1-3-32-20-13-12-15(14-21(20)31-2)22(27-23(29)16-8-4-6-10-18(16)25)28-24(30)17-9-5-7-11-19(17)26/h4-14,22H,3H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,11,2,18,28,19,29,17,27,20,30,6,5,8,7,16,26,21,31,4,9,12,14,24,22,32,13,23,15,25,10,3/E:(4,5)(6,7)(8,9)(10,11)(16,17)(18,19)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:32nCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22F2N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.44039 |
Area: | 656.411 |
Solvation: | -9.9699 |
Coulombic: | -63.7455 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 440.439 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.9 |
LogP (Chemaxon): | 3.94 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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