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Chemical ID: 5497247
Chemical ID:
5497247
Name [?]:
2-(2-chloro-4-nitro-phenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILES [?]:
c1cc(ccc1CCNC(=O)COc2ccc(cc2Cl)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C16H14Cl2N2O4/c17-12-3-1-11(2-4-12)7-8-19-16(21)10-24-15-6-5-13(20(22)23)9-14(15)18/h1-6,9H,7-8,10H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,8,18,12,6,3,17,19,14,10,24,20,9,21,11,22,23,13/E:(1,2)(3,4)(22,23)/CRV:20.5/rA:24nCCCCCCCCNCOCOCCCCCCClN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.42188 |
Area: | 597.354 |
Solvation: | -10.512 |
Coulombic: | -39.1709 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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