Chemical ID: 4146243

Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)C(C)C
Chemical ID:
4146243
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H20ClNO2/c1-12(2)14-7-9-15(10-8-14)22-11-18(21)20-17-6-4-5-16(19)13(17)3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,5,6,4,16,18,15,19,12,20,2,17,14,7,3,10,8,9,11,13/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCClNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.63099
Area:536.365
Solvation:-3.77814
Coulombic:-30.1141
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.93
LogP (Chemaxon):4.4

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Descriptor Annotations

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