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Chemical ID: 4149821
Chemical ID:
4149821
Name [?]:
2-(2-bromophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)Br
InChi [?]:
InChI=1/C15H10BrClF3NO2/c16-10-3-1-2-4-13(10)23-8-14(22)21-12-7-9(15(18,19)20)5-6-11(12)17/h1-7H,8H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,13,8,14,4,17,12,5,9,19,23,18,20,21,22,11,10,7/E:(18,19,20)/rA:23nCCCCCCOCCONCCCCCCClCFFFBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;s19;s19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrClF3NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44487 |
Area: | 523.011 |
Solvation: | -4.6304 |
Coulombic: | -47.7563 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.597 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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