Chemical ID: 4507943

Cc1ccc(c(c1)C)OCC(=O)NCc2ccc(cc2)Cl
Chemical ID:
4507943
Name [?]:
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)NCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-12-3-8-16(13(2)9-12)21-11-17(20)19-10-14-4-6-15(18)7-5-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,3,16,20,17,19,4,7,14,10,2,6,15,18,5,11,21,13,12,9/E:(4,5)(6,7)/rA:21nCCCCCCCCOCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.55196
Area:533.41
Solvation:-3.78328
Coulombic:-30.6329
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.783
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.1
LogP (Chemaxon):3.95

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