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Chemical ID: 6839679

CCc1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl)CC

Chemical ID:

6839679

Name [?]:

4-[(3-chlorophenyl)carbamoylmethoxy]-N-(2,6-diethylphenyl)-benzamide

SMILES [?]:

CCc1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl)CC

InChi [?]:

InChI=1/C25H25ClN2O3/c1-3-17-7-5-8-18(4-2)24(17)28-25(30)19-11-13-22(14-12-19)31-16-23(29)27-21-10-6-9-20(26)15-21/h5-15H,3-4,16H2,1-2H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,31,2,30,5,25,4,6,26,24,13,17,14,16,28,19,3,7,12,27,23,15,20,8,10,29,22,9,21,11,18/E:(1,2)(3,4)(7,8)(11,12)(13,14)(17,18)/rA:31nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s7;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅ClN₂O₃
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0536
Area:	692.026
Solvation:	-5.2471
Coulombic:	-51.1568

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.93
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.65
LogP (Chemaxon):	4.88

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