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Chemical ID: 7267505
Chemical ID:
7267505
Name [?]:
N-(3-acetamidophenyl)-2-(2-acetyl-4-chloro-phenoxy)-acetamide
SMILES [?]:
CC(=O)c1cc(ccc1OCC(=O)Nc2cccc(c2)NC(=O)C)Cl
InChi [?]:
InChI=1/C18H17ClN2O4/c1-11(22)16-8-13(19)6-7-17(16)25-10-18(24)21-15-5-3-4-14(9-15)20-12(2)23/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,17,18,16,7,8,5,20,11,2,22,6,19,15,4,9,12,25,21,14,3,23,13,10/rA:25nCCOCCCCCCOCCONCCCCCCNCOCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN2O4 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.68446 |
Area: | 581.355 |
Solvation: | -7.84942 |
Coulombic: | -51.2099 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 360.791 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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