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Chemical ID: 7505847
Chemical ID:
7505847
Name [?]:
N-(2-chlorophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-3-13(2)14-8-10-15(11-9-14)22-12-18(21)20-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,18,20,17,6,10,7,9,12,3,5,8,21,16,13,22,15,14,11/E:(8,9)(10,11)/rA:22cCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO2 |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.97823 |
Area: | 543.408 |
Solvation: | -3.60697 |
Coulombic: | -31.0438 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.81 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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