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Chemical ID: 5358299
Chemical ID:
5358299
Name [?]:
2-(2-acetyl-4-chloro-phenoxy)-N-(3-chloro-4-fluoro-phenyl)-acetamide
SMILES [?]:
CC(=O)c1cc(ccc1OCC(=O)Nc2ccc(c(c2)Cl)F)Cl
InChi [?]:
InChI=1/C16H12Cl2FNO3/c1-9(21)12-6-10(17)2-5-15(12)23-8-16(22)20-11-3-4-14(19)13(18)7-11/h2-7H,8H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,7,16,17,8,5,20,11,2,6,15,4,19,18,9,12,23,21,22,14,3,13,10/rA:23nCCOCCCCCCOCCONCCCCCCClFCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl2FNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.29691 |
Area: | 542.217 |
Solvation: | -7.25852 |
Coulombic: | -36.6491 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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