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Chemical ID: 4143797

Chemical ID:

4143797

Name [?]:

2-(4-nitrophenoxy)-N-(o-tolyl)acetamide

SMILES [?]:

Cc1ccccc1NC(=O)COc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C15H14N2O4/c1-11-4-2-3-5-14(11)16-15(18)10-21-13-8-6-12(7-9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,4,5,3,6,15,17,14,18,11,2,16,13,7,9,8,19,10,20,21,12/E:(6,7)(8,9)(19,20)/CRV:17.5/rA:21nCCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄N₂O₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	2.34914
Area:	490.265
Solvation:	-9.90747
Coulombic:	-38.7497

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	286.283
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.67
LogP (Chemaxon):	2.65

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

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Chemical Mix	Source	External ID	Descriptor	Value