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Chemical ID: 4322393
Chemical ID:
4322393
Name [?]:
2-(4-bromophenoxy)-N-(2,4-dichlorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2ccc(cc2Cl)Cl)Br
InChi [?]:
InChI=1/C14H10BrCl2NO2/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-6-3-10(16)7-12(13)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,4,14,1,5,13,16,8,3,15,6,17,12,9,20,19,18,11,10,7/E:(1,2)(4,5)/rA:20nCCCCCCOCCONCCCCCCClClBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrCl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38995 |
Area: | 520.024 |
Solvation: | -3.61064 |
Coulombic: | -29.6498 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.044 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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