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Chemical ID: 4161429

c1ccc(cc1)OCC(=O)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

Chemical ID:

4161429

Name [?]:

[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-phenoxyacetate

SMILES [?]:

c1ccc(cc1)OCC(=O)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C21H16ClNO4/c22-16-8-10-17(11-9-16)23-21(25)15-6-12-19(13-7-15)27-20(24)14-26-18-4-2-1-3-5-18/h1-13H,14H2,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,14,16,23,25,22,26,13,17,8,15,24,21,4,12,9,18,27,20,10,19,7,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCOCCOOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆ClNO₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9659
Area:	619.888
Solvation:	-4.53132
Coulombic:	-49.9331

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	381.809
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.53
LogP (Chemaxon):	4.62

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

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Chemical Mix	Source	External ID	Descriptor	Value