N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

C12H14Cl2N2O4 — CID 108530058

IUPACN'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1c(Cl)cccc1Cl)OC
InChIInChI=1S/C12H14Cl2N2O4/c1-19-9(20-2)6-15-11(17)12(18)16-10-7(13)4-3-5-8(10)14/h3-5,9H,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLRGYFZFLUXCOTF-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.67
Rot. Bonds5

About N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 108530058) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
PubChem CID108530058
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC NameN'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1c(Cl)cccc1Cl)OC
InChIInChI=1S/C12H14Cl2N2O4/c1-19-9(20-2)6-15-11(17)12(18)16-10-7(13)4-3-5-8(10)14/h3-5,9H,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLRGYFZFLUXCOTF-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108516166
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
4-[(2,6-dichlorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159557
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (CID 108530058) is N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)Nc1c(Cl)cccc1Cl)OC.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is LRGYFZFLUXCOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-19-9(20-2)6-15-11(17)12(18)16-10-7(13)4-3-5-8(10)14/h3-5,9H,6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide has a molecular weight of 321.16 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 108530058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).