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Chemical ID: 7268177
Chemical ID:
7268177
Name [?]:
2-(4-acetylphenyl)amino-N-(4-bromo-2-fluoro-phenyl)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NCC(=O)Nc2ccc(cc2F)Br
InChi [?]:
InChI=1/C16H14BrFN2O2/c1-10(21)11-2-5-13(6-3-11)19-9-16(22)20-15-7-4-12(17)8-14(15)18/h2-8,19H,9H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,9,17,6,8,16,19,11,2,4,18,7,20,15,12,22,21,10,14,3,13/E:(2,3)(5,6)/rA:22nCCOCCCCCCNCCONCCCCCCFBr/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14BrFN2O2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07579 |
Area: | 522.664 |
Solvation: | -3.99082 |
Coulombic: | -44.0947 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.197 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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