Chemical ID: 7477301

Cc1ccc(c(c1)NC(=O)COc2ccccc2[N+](=O)[O-])C
Chemical ID:
7477301
Name [?]:
N-(2,5-dimethylphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccccc2[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O4/c1-11-7-8-12(2)13(9-11)17-16(19)10-22-15-6-4-3-5-14(15)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,17,14,3,4,7,11,2,5,6,18,13,9,8,19,10,20,21,12/E:(20,21)/CRV:18.5/rA:22nCCCCCCCNCOCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:0.392912
Area:499.379
Solvation:-12.0916
Coulombic:-37.3001
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.309
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.11
LogP (Chemaxon):3.11

Name Annotations

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Descriptor Annotations

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