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Chemical ID: 6839058

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl)C

Chemical ID:

6839058

Name [?]:

4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-(2,5-dimethylphenyl)-benzamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl)C

InChi [?]:

InChI=1/C23H20Cl2N2O3/c1-14-3-4-15(2)21(11-14)27-23(29)16-5-8-18(9-6-16)30-13-22(28)26-17-7-10-19(24)20(25)12-17/h3-12H,13H2,1-2H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,30,3,4,12,16,23,13,15,24,7,27,18,2,5,11,22,14,25,26,6,19,9,29,28,21,8,20,10,17/E:(5,6)(8,9)/rA:30nCCCCCCCNCOCCCCCCOCCONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀Cl₂N₂O₃
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8489
Area:	681.154
Solvation:	-5.17997
Coulombic:	-50.5548

Bond Count [?]

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

Chemical Properties

Molecular Weight:	443.322
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.55
LogP (Chemaxon):	5.25

Name Annotations

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

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