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Chemical ID: 6882772

Cc1cccc(c1C)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl

Chemical ID:

6882772

Name [?]:

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

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl

InChi [?]:

InChI=1/C23H21ClN2O3/c1-15-5-3-8-21(16(15)2)26-23(28)17-9-11-20(12-10-17)29-14-22(27)25-19-7-4-6-18(24)13-19/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,8,4,25,3,26,24,5,13,17,14,16,28,19,2,7,12,27,23,15,6,20,10,29,22,9,21,11,18/E:(9,10)(11,12)/rA:29nCCCCCCCCNCOCCCCCCOCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁ClN₂O₃
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0849
Area:	651.125
Solvation:	-5.19323
Coulombic:	-50.5093

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	408.877
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.93
LogP (Chemaxon):	4.73

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