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Chemical ID: 6943663

Chemical ID:

6943663

Name [?]:

N-(2-ethylphenyl)-2-(2-nitrophenoxy)-acetamide

SMILES [?]:

CCc1ccccc1NC(=O)COc2ccccc2[N+](=O)[O-]

InChi [?]:

InChI=1/C16H16N2O4/c1-2-12-7-3-4-8-13(12)17-16(19)11-22-15-10-6-5-9-14(15)18(20)21/h3-10H,2,11H2,1H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,2,5,6,17,16,4,7,18,15,12,3,8,19,14,10,9,20,11,21,22,13/E:(20,21)/CRV:18.5/rA:22nCCCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆N₂O₄
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	0.499612
Area:	501.832
Solvation:	-12.0462
Coulombic:	-37.8735

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	300.309
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.13
LogP (Chemaxon):	3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value