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Chemical ID: 5892779

COCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)c3cc(cc(c3)Cl)Cl

Chemical ID:

5892779

Name [?]:

5-(3,5-dichlorobenzoyl)amino-N-(2-methoxyethyl)-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

COCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)c3cc(cc(c3)Cl)Cl

InChi [?]:

InChI=1/C21H23Cl2N3O3/c1-29-9-6-24-21(28)18-13-17(4-5-19(18)26-7-2-3-8-26)25-20(27)14-10-15(22)12-16(23)11-14/h4-5,10-13H,2-3,6-9H2,1H3,(H,24,28)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,16,17,11,12,4,15,18,3,23,27,25,9,22,24,26,10,8,13,20,6,29,28,5,19,14,21,7,2/E:(2,3)(7,8)(10,11)(15,16)(22,23)/rA:29nCOCCNCOCCCCCCNCCCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s14s17;s10;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃Cl₂N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5145
Area:	676.711
Solvation:	-5.4033
Coulombic:	-56.1253

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	436.331
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.17
LogP (Chemaxon):	3.46

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

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Chemical Mix	Source	External ID	Descriptor	Value