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Chemical ID: 5892160

c1cc(c(cc1NC(=O)c2cc(cc(c2)Cl)Cl)C(=O)NCC3CCCO3)N4CCCCC4

Chemical ID:

5892160

Name [?]:

5-(3,5-dichlorobenzoyl)amino-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide

SMILES [?]:

c1cc(c(cc1NC(=O)c2cc(cc(c2)Cl)Cl)C(=O)NCC3CCCO3)N4CCCCC4

InChi [?]:

InChI=1/C24H27Cl2N3O3/c25-17-11-16(12-18(26)13-17)23(30)28-19-6-7-22(29-8-2-1-3-9-29)21(14-19)24(31)27-15-20-5-4-10-32-20/h6-7,11-14,20H,1-5,8-10,15H2,(H,27,31)(H,28,30)

InChi Info:

AuxInfo=1/1/N:30,29,31,24,23,1,2,28,32,25,11,15,13,5,21,10,12,14,6,22,4,3,8,18,17,16,20,7,27,9,19,26/E:(2,3)(8,9)(11,12)(17,18)(25,26)/rA:32cCCCCCCNCOCCCCCCClClCONCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s12;s4;d18;s18;s20;s21;s22;s23;s24;s22s25;s3;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇Cl₂N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.8984
Area:	722.182
Solvation:	-5.15611
Coulombic:	-56.6975

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	476.395
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.07
LogP (Chemaxon):	4.25

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