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Chemical ID: 7505859
Chemical ID:
7505859
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C19H22ClNO2/c1-4-13(2)15-8-10-16(11-9-15)23-12-19(22)21-18-7-5-6-17(20)14(18)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,22,2,18,19,17,6,10,7,9,12,3,21,5,8,20,16,13,23,15,14,11/E:(8,9)(10,11)/rA:23cCCCCCCCCCCOCCONCCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2754 |
Area: | 562.52 |
Solvation: | -3.78758 |
Coulombic: | -30.4195 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.5 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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