Chemical ID: 7155712

CCOc1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)C)C=O
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

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Descriptor Annotations

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