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Chemical ID: 7293514
Chemical ID:
7293514
Name [?]:
4-(4-chloro-3-methyl-phenoxy)-N-(2-ethylphenyl)-butanamide
SMILES [?]:
CCc1ccccc1NC(=O)CCCOc2ccc(c(c2)C)Cl
InChi [?]:
InChI=1/C19H22ClNO2/c1-3-15-7-4-5-8-18(15)21-19(22)9-6-12-23-16-10-11-17(20)14(2)13-16/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,6,13,4,7,12,17,18,14,21,20,3,16,19,8,10,23,9,11,15/rA:23nCCCCCCCCNCOCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5296 |
Area: | 564.94 |
Solvation: | -3.59389 |
Coulombic: | -28.9165 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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