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Chemical ID: 5553222

Chemical ID:

5553222

Name [?]:

N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-propanamide

SMILES [?]:

COc1cc(cc(c1OC)OC)CCC(=O)Nc2cccc(c2)Cl

InChi [?]:

InChI=1/C18H20ClNO4/c1-22-15-9-12(10-16(23-2)18(15)24-3)7-8-17(21)20-14-6-4-5-13(19)11-14/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,12,10,20,21,19,13,14,4,6,23,5,22,18,3,7,15,8,24,17,16,2,11,9/E:(1,2)(9,10)(15,16)(22,23)/rA:24nCOCCCCCCOCOCCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀ClNO₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.53907
Area:	573.793
Solvation:	-6.80575
Coulombic:	-42.0518

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	349.808
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.94
LogP (Chemaxon):	3.37

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