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Chemical ID: 7107196

Chemical ID:

7107196

Name [?]:

2-[4-(benzylaminomethyl)-2-chloro-6-methoxy-phenoxy]acetamide

SMILES [?]:

COc1cc(cc(c1OCC(=O)N)Cl)CNCc2ccccc2

InChi [?]:

InChI=1/C17H19ClN2O3/c1-22-15-8-13(7-14(18)17(15)23-11-16(19)21)10-20-9-12-5-3-2-4-6-12/h2-8,20H,9-11H2,1H3,(H2,19,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,23,6,4,17,15,10,18,5,7,3,11,8,14,13,16,12,2,9/E:(3,4)(5,6)/rA:23nCOCCCCCCOCCONClCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s7;s5;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉ClN₂O₃
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.99196
Area:	565.132
Solvation:	-6.13634
Coulombic:	-50.0617

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	334.797
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	2.08
LogP (Chemaxon):	2.04

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