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Chemical ID: 6147329

Cc1cc(ccc1Cl)OCC(=O)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

Chemical ID:

6147329

Name [?]:

[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(4-chloro-3-methyl-phenoxy)acetate

SMILES [?]:

Cc1cc(ccc1Cl)OCC(=O)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H17Cl2NO4/c1-14-12-19(10-11-20(14)24)28-13-21(26)29-18-8-2-15(3-9-18)22(27)25-17-6-4-16(23)5-7-17/h2-12H,13H2,1H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,16,18,25,27,24,28,15,19,5,6,3,10,2,17,26,23,14,4,7,11,20,29,8,22,12,21,9,13/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCCCCCCCClOCCOOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇Cl₂NO₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2135
Area:	671.196
Solvation:	-4.56634
Coulombic:	-49.7072

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.28
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.38
LogP (Chemaxon):	5.61

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