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Chemical ID: 6884214

c1ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl

Chemical ID:

6884214

Name [?]:

4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-phenethyl-benzamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C23H20Cl2N2O3/c24-20-11-8-18(14-21(20)25)27-22(28)15-30-19-9-6-17(7-10-19)23(29)26-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,17,24,14,16,25,7,8,28,19,4,12,23,15,26,27,20,10,30,29,9,22,21,11,18/E:(2,3)(4,5)(6,7)(9,10)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.2612
Area:	703.405
Solvation:	-5.32396
Coulombic:	-51.9997

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	443.322
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.19
LogP (Chemaxon):	4.84

Name Annotations

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

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