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Chemical ID: 4160407
Chemical ID:
4160407
Name [?]:
N-(3-chlorophenyl)-4-(2,4-dimethylphenoxy)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-13-8-9-17(14(2)11-13)22-10-4-7-18(21)20-16-6-3-5-15(19)12-16/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,18,11,19,17,12,3,4,10,7,21,2,6,20,16,5,13,22,15,14,9/rA:22nCCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2495 |
Area: | 553.87 |
Solvation: | -3.59726 |
Coulombic: | -28.4984 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.81 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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