Chemical ID: 4159981

CCc1cccc(c1)OCC(=O)Nc2ccc(c(c2)Cl)OC
Chemical ID:
4159981
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C17H18ClNO3/c1-3-12-5-4-6-14(9-12)22-11-17(20)19-13-7-8-16(21-2)15(18)10-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,4,6,15,16,8,19,10,3,14,7,18,17,11,20,13,12,21,9/rA:22nCCCCCCCCOCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.97714
Area:538.635
Solvation:-5.48874
Coulombic:-35.8903
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.782
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.11
LogP (Chemaxon):4.0

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Descriptor Annotations

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