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Chemical ID: 5565386

Chemical ID:

5565386

Name [?]:

N-(2-bromo-4-methyl-phenyl)-2-(2,6-dimethylmorpholin-4-yl)-acetamide

SMILES [?]:

Cc1ccc(c(c1)Br)NC(=O)CN2CC(OC(C2)C)C

InChi [?]:

InChI=1/C15H21BrN2O2/c1-10-4-5-14(13(16)6-10)17-15(19)9-18-7-11(2)20-12(3)8-18/h4-6,11-12H,7-9H2,1-3H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,19,20,3,4,7,18,14,12,2,17,15,6,5,10,8,9,13,11,16/E:(2,3)(7,8)(11,12)/rA:20cCCCCCCCBrNCOCNCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₁BrN₂O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	7.87965
Area:	494.271
Solvation:	-4.47714
Coulombic:	-32.3584

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	341.244
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.56
LogP (Chemaxon):	2.33

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