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Chemical ID: 6382188
Chemical ID:
6382188
Name [?]:
N-(3,4-dichlorophenyl)-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c15-12-7-6-10(8-13(12)16)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,17,8,12,4,15,16,9,19,18,11,10,7/E:(2,3)(4,5)/rA:19nCCCCCCOCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12171 |
Area: | 485.006 |
Solvation: | -4.00345 |
Coulombic: | -29.5059 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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