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Chemical ID: 6157939
Chemical ID:
6157939
Name [?]:
2-(2,4-dichlorophenoxy)-N-(2-fluoro-5-nitro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])NC(=O)COc2ccc(cc2Cl)Cl)F
InChi [?]:
InChI=1/C14H9Cl2FN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-12-6-9(19(21)22)2-3-11(12)17/h1-6H,7H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:17,1,2,16,19,5,13,18,6,20,3,4,15,11,22,21,23,10,7,12,8,9,14/E:(21,22)/CRV:19.5/rA:23nCCCCCCN+OO-NCOCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Cl2FN2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.41638 |
Area: | 541.901 |
Solvation: | -10.1311 |
Coulombic: | -42.3827 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.136 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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