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Chemical ID: 4106507

Chemical ID:

4106507

Name [?]:

N'-(4-chlorophenyl)-N-(p-tolylmethyl)oxamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)C(=O)Nc2ccc(cc2)Cl

InChi [?]:

InChI=1/C16H15ClN2O2/c1-11-2-4-12(5-3-11)10-18-15(20)16(21)19-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,17,19,16,20,8,2,5,18,15,10,12,21,9,14,11,13/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCNCOCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅ClN₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1155
Area:	523.838
Solvation:	-1.98047
Coulombic:	-48.7146

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	302.755
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.23
LogP (Chemaxon):	3.44

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value