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Chemical ID: 6884181

Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

Chemical ID:

6884181

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,3,16,18,25,27,4,24,28,15,19,6,12,2,17,26,23,5,14,7,10,20,29,8,9,22,11,21,13/E:(3,4)(5,6)(8,9)(10,11)/rA:29nCCCCCCCClNCOCOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.6309
Area:	668.459
Solvation:	-5.08062
Coulombic:	-50.7818

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):	5.43

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