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Chemical ID: 6843408

Cc1cc(ccc1NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl)Cl

Chemical ID:

6843408

Name [?]:

4-[(4-chloro-2-methyl-phenyl)carbamoylmethoxy]-N-(2,5-dichlorophenyl)-benzamide

SMILES [?]:

Cc1cc(ccc1NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl)Cl

InChi [?]:

InChI=1/C22H17Cl3N2O3/c1-13-10-15(23)5-9-19(13)26-21(28)12-30-17-6-2-14(3-7-17)22(29)27-20-11-16(24)4-8-18(20)25/h2-11H,12H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,15,17,25,5,14,18,26,6,3,23,11,2,16,4,24,13,27,7,22,9,19,30,29,28,8,21,10,20,12/E:(2,3)(6,7)/rA:30nCCCCCCCNCOCOCCCCCCCONCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇Cl₃N₂O₃
All Atoms:	47
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5493
Area:	697.101
Solvation:	-4.87818
Coulombic:	-51.3167

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.74
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.74
LogP (Chemaxon):	4.65

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