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Chemical ID: 6882856

Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl

Chemical ID:

6882856

Name [?]:

4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-(2,4-dimethylphenyl)-benzamide

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C23H20Cl2N2O3/c1-14-3-10-21(15(2)11-14)27-23(29)16-4-7-18(8-5-16)30-13-22(28)26-17-6-9-19(24)20(25)12-17/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,8,3,13,17,24,14,16,25,4,7,28,19,2,6,12,23,15,26,27,5,20,10,30,29,22,9,21,11,18/E:(4,5)(7,8)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀Cl₂N₂O₃
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9236
Area:	685.417
Solvation:	-5.21186
Coulombic:	-50.4706

Bond Count [?]

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

Chemical Properties

Molecular Weight:	443.322
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.55
LogP (Chemaxon):	5.25

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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