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Chemical ID: 5732573

Chemical ID:

5732573

Name [?]:

2-(2-acetyl-4-chloro-phenoxy)-N-(cyclopentylcarbamoyl)acetamide

SMILES [?]:

CC(=O)c1cc(ccc1OCC(=O)NC(=O)NC2CCCC2)Cl

InChi [?]:

InChI=1/C16H19ClN2O4/c1-10(20)13-8-11(17)6-7-14(13)23-9-15(21)19-16(22)18-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H2,18,19,21,22)

InChi Info:

AuxInfo=1/1/N:1,20,21,19,22,7,8,5,11,2,6,18,4,9,12,15,23,17,14,3,13,16,10/E:(2,3)(4,5)/rA:23nCCOCCCCCCOCCONCONCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;d15;s15;s17;s18;s19;s20;s18s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉ClN₂O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	5.46865
Area:	549.746
Solvation:	-8.275
Coulombic:	-53.2981

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.786
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.35
LogP (Chemaxon):	1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value