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Chemical ID: 4200767

Chemical ID:

4200767

Name [?]:

3,5-dichloro-4-methoxy-N-(4-methoxyphenyl)-benzamide

SMILES [?]:

COc1ccc(cc1)NC(=O)c2cc(c(c(c2)Cl)OC)Cl

InChi [?]:

InChI=1/C15H13Cl2NO3/c1-20-11-5-3-10(4-6-11)18-15(19)9-7-12(16)14(21-2)13(17)8-9/h3-8H,1-2H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,20,5,7,4,8,13,17,12,6,3,14,16,15,10,21,18,9,11,2,19/E:(3,4)(5,6)(7,8)(12,13)(16,17)/rA:21nCOCCCCCCNCOCCCCCCClOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s15;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃Cl₂NO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26226
Area:	510.659
Solvation:	-4.50421
Coulombic:	-36.3121

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	326.174
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.07
LogP (Chemaxon):	3.63

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