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Chemical ID: 4155111
Chemical ID:
4155111
Name [?]:
N-(3,4-dichlorophenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H17Cl2NO2/c1-12-4-2-5-14(10-12)22-9-3-6-17(21)20-13-7-8-15(18)16(19)11-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,10,3,5,11,16,17,9,7,20,2,15,6,18,19,12,22,21,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17Cl2NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2532 |
Area: | 557.804 |
Solvation: | -3.69185 |
Coulombic: | -28.6202 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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