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Chemical ID: 6882824

Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl)Cl

Chemical ID:

6882824

Name [?]:

N-(4-chloro-2-methyl-phenyl)-4-[(3-chlorophenyl)carbamoylmethoxy]benzamide

SMILES [?]:

Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl)Cl

InChi [?]:

InChI=1/C22H18Cl2N2O3/c1-14-11-17(24)7-10-20(14)26-22(28)15-5-8-19(9-6-15)29-13-21(27)25-18-4-2-3-16(23)12-18/h2-12H,13H2,1H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,24,25,23,12,16,5,13,15,6,3,27,18,2,11,26,4,22,14,7,19,9,28,29,21,8,20,10,17/E:(5,6)(8,9)/rA:29nCCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈Cl₂N₂O₃
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6293
Area:	668.992
Solvation:	-5.0955
Coulombic:	-50.7975

Bond Count [?]

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

Chemical Properties

Molecular Weight:	429.295
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.12
LogP (Chemaxon):	4.78

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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