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Chemical ID: 7491619

Chemical ID:

7491619

Name [?]:

N-(3-chloro-4-methoxy-phenyl)-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

COc1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)OC

InChi [?]:

InChI=1/C16H16ClNO4/c1-20-12-4-6-13(7-5-12)22-10-16(19)18-11-3-8-15(21-2)14(17)9-11/h3-9H,10H2,1-2H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,22,15,4,8,5,7,16,19,10,14,3,6,18,17,11,20,13,12,2,21,9/E:(4,5)(6,7)/rA:22nCOCCCCCCOCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆ClNO₄
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.44353
Area:	528.95
Solvation:	-6.78021
Coulombic:	-41.7462

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	321.755
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.13
LogP (Chemaxon):	2.89

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