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Chemical ID: 4346678

Chemical ID:

4346678

Name [?]:

N-[2-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]aminophenyl]acetamide

SMILES [?]:

Cc1cc(cc(c1Cl)C)OCC(=O)Nc2ccccc2NC(=O)C

InChi [?]:

InChI=1/C18H19ClN2O3/c1-11-8-14(9-12(2)18(11)19)24-10-17(23)21-16-7-5-4-6-15(16)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,9,24,18,17,19,16,3,5,11,2,6,22,4,20,15,12,7,8,21,14,23,13,10/E:(1,2)(8,9)(11,12)/rA:24nCCCCCCCClCOCCONCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉ClN₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.9381
Area:	564.58
Solvation:	-5.1764
Coulombic:	-47.5631

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	346.808
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.0
LogP (Chemaxon):	3.65

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