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Chemical ID: 5892073

CCN(CC)CCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(c(c3)Cl)Cl

Chemical ID:

5892073

Name [?]:

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

SMILES [?]:

CCN(CC)CCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C25H32Cl2N4O2/c1-3-30(4-2)15-12-28-25(33)20-17-19(9-11-23(20)31-13-6-5-7-14-31)29-24(32)18-8-10-21(26)22(27)16-18/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,28,33)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,20,19,21,27,14,28,15,7,18,22,6,31,12,26,13,11,29,30,16,24,9,33,32,8,23,3,17,25,10/E:(1,2)(3,4)(6,7)(13,14)/rA:33nCCNCCCCNCOCCCCCCNCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s13;s23;d24;s24;s26;d27;s28;d29;d26s30;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂Cl₂N₄O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.476
Area:	758.06
Solvation:	-4.4755
Coulombic:	-54.2426

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	491.453
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.41
LogP (Chemaxon):	4.69

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