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Chemical ID: 6875596

Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(cc(c3)Cl)Cl

Chemical ID:

6875596

Name [?]:

N-(3-chloro-2-methyl-phenyl)-4-[(3,5-dichlorophenyl)carbamoylmethoxy]benzamide

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(cc(c3)Cl)Cl

InChi [?]:

InChI=1/C22H17Cl3N2O3/c1-13-19(25)3-2-4-20(13)27-22(29)14-5-7-18(8-6-14)30-12-21(28)26-17-10-15(23)9-16(24)11-17/h2-11H,12H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,5,6,4,13,17,14,16,26,24,28,19,2,12,25,27,23,15,7,3,20,10,30,29,8,22,9,21,11,18/E:(5,6)(7,8)(10,11)(15,16)(23,24)/rA:30nCCCCCCCClNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇Cl₃N₂O₃
All Atoms:	47
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.374
Area:	695.948
Solvation:	-5.02469
Coulombic:	-50.8358

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.74
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.74
LogP (Chemaxon):	5.3

Name Annotations

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

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