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Chemical ID: 6750842

Cc1cc(ccc1Cl)OCC(=O)Nc2ccc(cc2)OCc3ccccc3

Chemical ID:

6750842

Name [?]:

N-(4-benzyloxyphenyl)-2-(4-chloro-3-methyl-phenoxy)-acetamide

SMILES [?]:

Cc1cc(ccc1Cl)OCC(=O)Nc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C22H20ClNO3/c1-16-13-20(11-12-21(16)23)27-15-22(25)24-18-7-9-19(10-8-18)26-14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,15,19,16,18,5,6,3,21,10,2,22,14,17,4,7,11,8,13,12,20,9/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCCCCCClOCCONCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀ClNO₃
All Atoms:	47
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1078
Area:	626.164
Solvation:	-5.54628
Coulombic:	-37.5511

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	381.852
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.15
LogP (Chemaxon):	5.38

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value