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Chemical ID: 6876076

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl

Chemical ID:

6876076

Name [?]:

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

SMILES [?]:

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl

InChi [?]:

InChI=1/C23H20Cl2N2O4/c1-2-30-18-10-6-17(7-11-18)26-22(28)14-31-19-8-3-15(4-9-19)23(29)27-21-13-16(24)5-12-20(21)25/h3-13H,2,14H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,17,19,27,6,8,16,20,5,9,28,25,13,18,26,7,4,15,29,24,11,21,31,30,10,23,12,22,3,14/E:(3,4)(6,7)(8,9)(10,11)/rA:31nCCOCCCCCCNCOCOCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀Cl₂N₂O₄
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6412
Area:	708.39
Solvation:	-6.06851
Coulombic:	-57.8446

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	459.321
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.23
LogP (Chemaxon):	4.41

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