Chemical ID: 4146339

Cc1cc(ccc1OC(C)C(=O)Nc2ccc(cc2)C(=O)OC)Cl
Chemical ID:
4146339
Name [?]:
methyl 4-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]benzoate
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)Nc2ccc(cc2)C(=O)OC)Cl
InChi [?]:
InChI=1/C18H18ClNO4/c1-11-10-14(19)6-9-16(11)24-12(2)17(21)20-15-7-4-13(5-8-15)18(22)23-3/h4-10,12H,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,23,16,18,5,15,19,6,3,2,9,17,4,14,7,11,20,24,13,12,21,22,8/E:(4,5)(7,8)/rA:24cCCCCCCCOCCCONCCCCCCCOOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.74158
Area:570.746
Solvation:-4.52707
Coulombic:-48.9308
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.793
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.98
LogP (Chemaxon):3.95

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