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Chemical ID: 6335312

c1ccc(c(c1)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4Cl)Cl

Chemical ID:

6335312

Name [?]:

N-(2-chlorophenyl)-4-[4-[(2-chlorophenyl)carbamoyl]phenoxy]-benzamide

SMILES [?]:

c1ccc(c(c1)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4Cl)Cl

InChi [?]:

InChI=1/C26H18Cl2N2O3/c27-21-5-1-3-7-23(21)29-25(31)17-9-13-19(14-10-17)33-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28/h1-16H,(H,29,31)(H,30,32)

InChi Info:

AuxInfo=1/1/N:2,29,1,28,3,30,6,27,11,15,19,21,12,14,18,22,10,20,13,17,4,31,5,26,8,23,33,32,7,25,9,24,16/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:33nCCCCCCNCOCCCCCCOCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₈Cl₂N₂O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.2762
Area:	710.396
Solvation:	-3.48367
Coulombic:	-54.7568

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	477.338
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.69
LogP (Chemaxon):	5.32

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