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Chemical ID: 6875558

Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Cl

Chemical ID:

6875558

Name [?]:

N-(3-chloro-2-methyl-phenyl)-4-[(4-chlorophenyl)carbamoylmethoxy]benzamide

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H18Cl2N2O3/c1-14-19(24)3-2-4-20(14)26-22(28)15-5-11-18(12-6-15)29-13-21(27)25-17-9-7-16(23)8-10-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,5,6,4,13,17,25,27,24,28,14,16,19,2,12,26,23,15,7,3,20,10,29,8,22,9,21,11,18/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCClNCOCCCCCCOCCONCCCCCCCl/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈Cl₂N₂O₃
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5395
Area:	661.589
Solvation:	-5.00022
Coulombic:	-50.9994

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	429.295
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.12
LogP (Chemaxon):	4.78

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