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Chemical ID: 6441481

Cc1ccc(cc1)N(Cc2ccc(cc2)Br)C(=O)COc3ccc(cc3Cl)Cl

Chemical ID:

6441481

Name [?]:

N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenoxy)-N-(p-tolyl)acetamide

SMILES [?]:

Cc1ccc(cc1)N(Cc2ccc(cc2)Br)C(=O)COc3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C22H18BrCl2NO2/c1-15-2-9-19(10-3-15)26(13-16-4-6-17(23)7-5-16)22(27)14-28-21-11-8-18(24)12-20(21)25/h2-12H,13-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,11,15,12,14,23,4,6,22,25,9,19,2,10,13,24,5,26,21,17,16,28,27,8,18,20/E:(2,3)(4,5)(6,7)(9,10)/rA:28nCCCCCCCNCCCCCCCBrCOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈BrCl₂NO₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3197
Area:	645.433
Solvation:	-3.81613
Coulombic:	-27.3441

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	479.193
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.01
LogP (Chemaxon):	6.72

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value