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Chemical ID: 5896668

CCOCCCNC(=O)c1cc(ccc1N2CCC(CC2)C)NC(=O)c3cc(cc(c3)Cl)Cl

Chemical ID:

5896668

Name [?]:

5-(3,5-dichlorobenzoyl)amino-N-(3-ethoxypropyl)-2-(4-methyl-1-piperidyl)-benzamide

SMILES [?]:

CCOCCCNC(=O)c1cc(ccc1N2CCC(CC2)C)NC(=O)c3cc(cc(c3)Cl)Cl

InChi [?]:

InChI=1/C25H31Cl2N3O3/c1-3-33-12-4-9-28-25(32)22-16-21(5-6-23(22)30-10-7-17(2)8-11-30)29-24(31)18-13-19(26)15-20(27)14-18/h5-6,13-17H,3-4,7-12H2,1-2H3,(H,28,32)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,22,2,5,13,14,18,20,6,17,21,4,27,31,29,11,19,26,28,30,12,10,15,24,8,33,32,7,23,16,25,9,3/E:(7,8)(10,11)(13,14)(19,20)(26,27)/rA:33nCCOCCCNCOCCCCCCNCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁Cl₂N₃O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.0028
Area:	775.113
Solvation:	-5.37504
Coulombic:	-56.8322

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	492.437
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.81
LogP (Chemaxon):	4.58

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