Chemical ID: 5648462

CC(c1ccccc1)NC(=O)c2cc(ccc2[N+](=O)[O-])Cl
Chemical ID:
5648462
Name [?]:
5-chloro-2-nitro-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C15H13ClN2O3/c1-10(11-5-3-2-4-6-11)17-15(19)13-9-12(16)7-8-14(13)18(20)21/h2-10H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,15,16,13,2,3,14,12,17,10,21,9,18,11,19,20/E:(3,4)(5,6)(20,21)/CRV:18.5/rA:21cCCCCCCCCNCOCCCCCCN+OO-Cl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:3.54882
Area:496.311
Solvation:-8.85897
Coulombic:-31.6504
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.728
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):3.61

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