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Chemical ID: 5893732

COCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Nc3ccc(cc3Cl)Cl

Chemical ID:

5893732

Name [?]:

5-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxyethyl)-2-(1-piperidyl)benzamide

SMILES [?]:

COCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Nc3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C22H26Cl2N4O3/c1-31-12-9-25-21(29)17-14-16(6-8-20(17)28-10-3-2-4-11-28)26-22(30)27-19-7-5-15(23)13-18(19)24/h5-8,13-14H,2-4,9-12H2,1H3,(H,25,29)(H2,26,27,30)

InChi Info:

AuxInfo=1/1/N:1,17,16,18,26,11,25,12,4,15,19,3,28,9,27,10,8,29,24,13,6,21,31,30,5,20,23,14,7,22,2/E:(3,4)(10,11)/rA:31nCOCCNCOCCCCCCNCCCCCNCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆Cl₂N₄O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3989
Area:	704.345
Solvation:	-5.20969
Coulombic:	-69.4873

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	465.372
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	4.01
LogP (Chemaxon):	3.61

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