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Chemical ID: 6006171

CN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Chemical ID:

6006171

Name [?]:

N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-methyl-adamantane-1-carboxamide

SMILES [?]:

CN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChi [?]:

InChI=1/C23H28ClN3O3/c1-25(22(30)23-9-15-6-16(10-23)8-17(7-15)11-23)12-20(28)26-13-21(29)27(14-26)19-4-2-18(24)3-5-19/h2-5,15-17H,6-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,14,16,13,17,24,27,29,26,22,30,3,7,11,25,23,28,15,12,4,8,19,21,18,2,6,10,5,9,20/E:(2,3)(4,5)(6,7,8)(9,10,11)(15,16,17)/rA:30nCNCCONCCONCCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s6s10;s10;s12;d13;s14;d15;d12s16;s15;s2;d19;s19;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈ClN₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3054
Area:	620.996
Solvation:	-4.21947
Coulombic:	-49.6216

Bond Count [?]

All:	34
Single:	28
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	429.94
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.55
LogP (Chemaxon):	2.71

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