Chemical ID: 6323084

c1ccc(cc1)CNC(=O)Cc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6323084
Name [?]:
N-benzyl-2-(4-nitrophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)Cc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O3/c18-15(16-11-13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)17(19)20/h1-9H,10-11H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,14,16,11,7,12,4,15,9,8,18,10,19,20/E:(2,3)(4,5)(6,7)(8,9)(19,20)/CRV:17.5/rA:20nCCCCCCCNCOCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.47494
Area:485.744
Solvation:-7.66866
Coulombic:-34.2886
Bond Count [?]
All:21
Single:13
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.283
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.72
LogP (Chemaxon):2.79

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Descriptor Annotations

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