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Chemical ID: 5908295

CCCN(CC(=O)N1CC(=O)N(C1)c2cccc(c2)Cl)C(=O)c3ccc(cc3)C

Chemical ID:

5908295

Name [?]:

N-[[3-(3-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-4-methyl-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)N1CC(=O)N(C1)c2cccc(c2)Cl)C(=O)c3ccc(cc3)C

InChi [?]:

InChI=1/C22H24ClN3O3/c1-3-11-24(22(29)17-9-7-16(2)8-10-17)13-20(27)25-14-21(28)26(15-25)19-6-4-5-18(23)12-19/h4-10,12H,3,11,13-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,2,16,17,15,25,27,24,28,3,19,5,9,13,26,23,18,14,6,10,21,20,4,8,12,7,11,22/E:(7,8)(9,10)/rA:29nCCCNCCONCCONCCCCCCCClCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s8s12;s12;s14;d15;s16;d17;d14s18;s18;s4;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6608
Area:	641.399
Solvation:	-4.37417
Coulombic:	-51.2258

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	413.897
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.53
LogP (Chemaxon):	3.2

Name Annotations

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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