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Chemical ID: 6850571

Chemical ID:

6850571

Name [?]:

4-(4-chloro-3-methyl-phenoxy)-N-(2,4-dimethoxyphenyl)-butanamide

SMILES [?]:

Cc1cc(ccc1Cl)OCCCC(=O)Nc2ccc(cc2OC)OC

InChi [?]:

InChI=1/C19H22ClNO4/c1-13-11-15(6-8-16(13)20)25-10-4-5-19(22)21-17-9-7-14(23-2)12-18(17)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,23,11,12,5,18,6,17,10,3,20,2,19,4,7,16,21,13,8,15,14,24,22,9/rA:25nCCCCCCCClOCCCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂ClNO₄
All Atoms:	47
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.4671
Area:	600.97
Solvation:	-5.55716
Coulombic:	-42.3607

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	363.835
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.87
LogP (Chemaxon):	3.79

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