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Chemical ID: 7293405

Chemical ID:

7293405

Name [?]:

N-(2-chloro-4-methyl-phenyl)-2-(2-cyanophenoxy)-acetamide

SMILES [?]:

Cc1ccc(c(c1)Cl)NC(=O)COc2ccccc2C#N

InChi [?]:

InChI=1/C16H13ClN2O2/c1-11-6-7-14(13(17)8-11)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,10H2,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,17,16,18,15,3,4,7,20,12,2,19,6,5,14,10,8,21,9,11,13/rA:21nCCCCCCCClNCOCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃ClN₂O₂
All Atoms:	34
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.49762
Area:	512.954
Solvation:	-4.32624
Coulombic:	-32.7324

Bond Count [?]

All:	22
Single:	14
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	300.739
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.46
LogP (Chemaxon):	3.03

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