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Chemical ID: 6357760
Chemical ID:
6357760
Name [?]:
4-(4-chloro-2-methyl-phenoxy)-N-(2-ethyl-6-methyl-phenyl)-butanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CCCOc2ccc(cc2C)Cl)C
InChi [?]:
InChI=1/C20H24ClNO2/c1-4-16-8-5-7-14(2)20(16)22-19(23)9-6-12-24-18-11-10-17(21)13-15(18)3/h5,7-8,10-11,13H,4,6,9,12H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,22,2,5,13,6,4,12,18,17,14,20,7,21,3,19,16,10,8,23,9,11,15/rA:24nCCCCCCCCNCOCCCOCCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8611 |
Area: | 582.301 |
Solvation: | -3.69642 |
Coulombic: | -28.4822 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.863 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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