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Chemical ID: 4143769

c1ccc(cc1)CN(c2cccc(c2)[N+](=O)[O-])C(=O)COc3cc(ccc3Cl)Cl

Chemical ID:

4143769

Name [?]:

N-benzyl-2-(2,5-dichlorophenoxy)-N-(3-nitrophenyl)-acetamide

SMILES [?]:

c1ccc(cc1)CN(c2cccc(c2)[N+](=O)[O-])C(=O)COc3cc(ccc3Cl)Cl

InChi [?]:

InChI=1/C21H16Cl2N2O4/c22-16-9-10-19(23)20(11-16)29-14-21(26)24(13-15-5-2-1-3-6-15)17-7-4-8-18(12-17)25(27)28/h1-12H,13-14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,11,3,5,10,12,25,26,23,14,7,20,4,24,9,13,27,22,18,29,28,8,15,19,16,17,21/E:(2,3)(5,6)(27,28)/CRV:25.5/rA:29nCCCCCCCNCCCCCCN+OO-COCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s8;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆Cl₂N₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	5.08163
Area:	623.42
Solvation:	-10.5039
Coulombic:	-36.7281

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	431.268
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.54
LogP (Chemaxon):	5.41

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value