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Chemical ID: 7101749

Chemical ID:

7101749

Name [?]:

2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide

SMILES [?]:

CCNCc1cc(c(c(c1)Cl)OCC(=O)N)OCC

InChi [?]:

InChI=1/C13H19ClN2O3/c1-3-16-7-9-5-10(14)13(19-8-12(15)17)11(6-9)18-4-2/h5-6,16H,3-4,7-8H2,1-2H3,(H2,15,17)

InChi Info:

AuxInfo=1/1/N:1,19,2,18,10,6,4,13,5,9,7,14,8,11,16,3,15,17,12/rA:19nCCNCCCCCCCClOCCONOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;d14;s14;s7;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉ClN₂O₃
All Atoms:	38
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.09378
Area:	505.775
Solvation:	-5.55059
Coulombic:	-48.8082

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	286.754
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	1.22
LogP (Chemaxon):	0.95

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value