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Chemical ID: 6156776
Chemical ID:
6156776
Name [?]:
N-(2-chloro-5-nitro-phenyl)-2-(4-chlorophenoxy)-2-methyl-propanamide
SMILES [?]:
CC(C)(C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-])Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O4/c1-16(2,24-12-6-3-10(17)4-7-12)15(21)19-14-9-11(20(22)23)5-8-13(14)18/h3-9H,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,20,22,10,19,23,11,8,21,9,18,12,7,4,2,24,13,6,14,5,15,16,17/E:(1,2)(3,4)(6,7)(22,23)/CRV:20.5/rA:24nCCCCONCCCCCCClN+OO-OCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s9;d14;s14;s2;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.40597 |
Area: | 552.775 |
Solvation: | -8.41341 |
Coulombic: | -41.7559 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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