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Chemical ID: 4414120

Chemical ID:

4414120

Name [?]:

2-(4-bromo-3,5-dimethyl-phenoxy)-N-(2-isopropylphenyl)-acetamide

SMILES [?]:

Cc1cc(cc(c1Br)C)OCC(=O)Nc2ccccc2C(C)C

InChi [?]:

InChI=1/C19H22BrNO2/c1-12(2)16-7-5-6-8-17(16)21-18(22)11-23-15-9-13(3)19(20)14(4)10-15/h5-10,12H,11H2,1-4H3,(H,21,22)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₉H₂₂BrNO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.9438
Area:	551.742
Solvation:	-3.84975
Coulombic:	-29.516

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	376.288
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.12
LogP (Chemaxon):	5.15

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