ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4237623

Chemical ID:

4237623

Name [?]:

3,5-dichloro-N-(2,4-dimethoxyphenyl)-4-ethoxy-benzamide

SMILES [?]:

CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2OC)OC)Cl

InChi [?]:

InChI=1/C17H17Cl2NO4/c1-4-24-16-12(18)7-10(8-13(16)19)17(21)20-14-6-5-11(22-2)9-15(14)23-3/h5-9H,4H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,23,21,2,16,15,6,8,18,7,17,5,9,14,19,4,11,24,10,13,12,22,20,3/E:(7,8)(12,13)(18,19)/rA:24nCCOCCCCCCClCONCCCCCCOCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇Cl₂NO₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.32775
Area:	570.53
Solvation:	-4.93551
Coulombic:	-44.2527

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	370.227
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.4
LogP (Chemaxon):	3.72

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value