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Chemical ID: 5570403
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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Experimental Annotations
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Descriptor Annotations
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