Chemical ID: 5570403

CCC(=O)c1ccc(cc1)OCC(=O)Nc2c(cc(cc2Cl)C)C
Chemical ID:
5570403
Name [?]:
N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-propanoylphenoxy)-acetamide
SMILES [?]:
CCC(=O)c1ccc(cc1)OCC(=O)Nc2c(cc(cc2Cl)C)C
InChi [?]:
InChI=1/C19H20ClNO3/c1-4-17(22)14-5-7-15(8-6-14)24-11-18(23)21-19-13(3)9-12(2)10-16(19)20/h5-10H,4,11H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,6,10,7,9,18,20,12,19,17,5,8,21,3,13,16,22,15,4,14,11/E:(5,6)(7,8)/rA:24nCCCOCCCCCCOCCONCCCCCCClCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.17509
Area:572.062
Solvation:-5.12647
Coulombic:-36.2725
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.82
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):2.96

Name Annotations

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Descriptor Annotations

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