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Chemical ID: 7505859

Chemical ID:

7505859

Name [?]:

N-(3-chloro-2-methyl-phenyl)-2-(4-sec-butylphenoxy)-acetamide

SMILES [?]:

CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2C)Cl

InChi [?]:

InChI=1/C19H22ClNO2/c1-4-13(2)15-8-10-16(11-9-15)23-12-19(22)21-18-7-5-6-17(20)14(18)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,4,22,2,18,19,17,6,10,7,9,12,3,21,5,8,20,16,13,23,15,14,11/E:(8,9)(10,11)/rA:23cCCCCCCCCCCOCCONCCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂ClNO₂
All Atoms:	45
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.2754
Area:	562.52
Solvation:	-3.78758
Coulombic:	-30.4195

Bond Count [?]

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

Chemical Properties

Molecular Weight:	331.836
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.5
LogP (Chemaxon):	4.8

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