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Chemical ID: 6882771

Cc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C

Chemical ID:

6882771

Name [?]:

4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-N-(o-tolyl)benzamide

SMILES [?]:

Cc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:29,1,4,5,3,6,24,12,16,23,13,15,27,18,25,2,11,22,14,26,7,19,9,28,21,8,20,10,17/E:(8,9)(11,12)/rA:29nCCCCCCCNCOCCCCCCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.1323
Area:	650.498
Solvation:	-5.13012
Coulombic:	-50.6449

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:	4.72
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