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Chemical ID: 7155712
Chemical ID:
7155712
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(2-ethoxy-4-formyl-phenoxy)-acetamide
SMILES [?]:
CCOc1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)C)C=O
InChi [?]:
InChI=1/C18H18ClNO4/c1-3-23-17-8-13(10-21)5-7-16(17)24-11-18(22)20-14-6-4-12(2)15(19)9-14/h4-10H,3,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,7,16,8,5,20,23,11,18,6,15,19,9,4,12,21,14,24,13,3,10/rA:24nCCOCCCCCCOCCONCCCCCCClCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s6;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO4 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.69726 |
Area: | 576.697 |
Solvation: | -7.72015 |
Coulombic: | -41.1204 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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