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Chemical ID: 6003981

Cc1cccc(c1)NC(=O)CNC(=O)CN(C2CCCCC2)C(=O)c3cccc(c3)Cl

Chemical ID:

6003981

Name [?]:

3-chloro-N-cyclohexyl-N-(m-tolylcarbamoylmethylcarbamoylmethyl)benzamide

SMILES [?]:

Cc1cccc(c1)NC(=O)CNC(=O)CN(C2CCCCC2)C(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C24H28ClN3O3/c1-17-7-5-10-20(13-17)27-22(29)15-26-23(30)16-28(21-11-3-2-4-12-21)24(31)18-8-6-9-19(25)14-18/h5-10,13-14,21H,2-4,11-12,15-16H2,1H3,(H,26,30)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,4,27,3,26,28,5,18,22,7,30,11,15,2,25,29,6,17,9,13,23,31,12,8,16,10,14,24/E:(3,4)(11,12)/rA:31nCCCCCCCNCOCNCOCNCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;s16;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈ClN₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2277
Area:	673.642
Solvation:	-3.61337
Coulombic:	-61.4681

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	441.95
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.37
LogP (Chemaxon):	3.77

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