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Chemical ID: 4220722

Chemical ID:

4220722

Name [?]:

N'-[(4-chlorophenyl)methyl]-N-isobutyl-oxamide

SMILES [?]:

CC(C)CNC(=O)C(=O)NCc1ccc(cc1)Cl

InChi [?]:

InChI=1/C13H17ClN2O2/c1-9(2)7-15-12(17)13(18)16-8-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,3,13,17,14,16,4,11,2,12,15,6,8,18,5,10,7,9/E:(1,2)(3,4)(5,6)/rA:18nCCCCNCOCONCCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₇ClN₂O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6795
Area:	492.619
Solvation:	-1.63596
Coulombic:	-49.2861

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	268.739
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.3
LogP (Chemaxon):	2.03

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