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Chemical ID: 6882805

Cc1cccc(c1C)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C

Chemical ID:

6882805

Name [?]:

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

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C

InChi [?]:

InChI=1/C24H23ClN2O3/c1-15-5-4-6-22(17(15)3)27-24(29)18-8-11-20(12-9-18)30-14-23(28)26-19-10-7-16(2)21(25)13-19/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,30,8,4,3,5,25,13,17,24,14,16,28,19,2,26,7,12,23,15,27,6,20,10,29,22,9,21,11,18/E:(8,9)(11,12)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;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:	C₂₄H₂₃ClN₂O₃
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5413
Area:	668.63
Solvation:	-5.17447
Coulombic:	-50.42

Bond Count [?]

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

Chemical Properties

Molecular Weight:	422.904
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.16
LogP (Chemaxon):	5.2

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