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Chemical ID: 6843411

CCc1cccc(c1NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3Cl)CC

Chemical ID:

6843411

Name [?]:

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

SMILES [?]:

CCc1cccc(c1NC(=O)COc2ccc(cc2)C(=O)Nc3ccccc3Cl)CC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,31,2,30,26,25,5,4,6,27,24,16,18,15,19,12,3,7,17,14,28,23,10,8,20,29,22,9,11,21,13/E:(1,2)(3,4)(8,9)(12,13)(14,15)(17,18)/rA:31nCCCCCCCCNCOCOCCCCCCCONCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s7;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.1785
Area:	687.84
Solvation:	-5.0175
Coulombic:	-51.8562

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):	4.23

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