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Chemical ID: 5623404

Cc1ccc(cc1)OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl

Chemical ID:

5623404

Name [?]:

N-(2-benzoyl-4-chloro-phenyl)-2-(4-methylphenoxy)-acetamide

SMILES [?]:

Cc1ccc(cc1)OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl

InChi [?]:

InChI=1/C22H18ClNO3/c1-15-7-10-18(11-8-15)27-14-21(25)24-20-12-9-17(23)13-19(20)22(26)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,22,26,3,7,15,4,6,14,17,9,2,21,16,5,18,13,10,19,27,12,11,20,8/E:(3,4)(5,6)(7,8)(10,11)/rA:27nCCCCCCCOCCONCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈ClNO₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7027
Area:	608.034
Solvation:	-4.49816
Coulombic:	-39.5775

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	379.836
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.72
LogP (Chemaxon):	5.73

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