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Chemical ID: 6969362
Chemical ID:
6969362
Name [?]:
2-(4-bromophenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2ccc(cc2)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13BrN2O4/c1-10-8-12(18(20)21)4-7-14(10)17-15(19)9-22-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,17,5,14,18,6,3,11,2,16,4,13,7,9,19,8,20,10,21,22,12/E:(2,3)(5,6)(20,21)/CRV:18.5/rA:22nCCCCCCCNCOCOCCCCCCBrN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrN2O4 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.74585 |
Area: | 521.741 |
Solvation: | -9.29768 |
Coulombic: | -39.4278 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.179 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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