N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

C12H14Cl2N2O4 — CID 108530034

IUPACN'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)OC
InChIInChI=1S/C12H14Cl2N2O4/c1-19-10(20-2)6-15-11(17)12(18)16-9-4-7(13)3-8(14)5-9/h3-5,10H,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUROBSTXVHLQPKU-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.67
Rot. Bonds5

About N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide

N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (PubChem CID 108530034) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
PubChem CID108530034
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC NameN'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)OC
InChIInChI=1S/C12H14Cl2N2O4/c1-19-10(20-2)6-15-11(17)12(18)16-9-4-7(13)3-8(14)5-9/h3-5,10H,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUROBSTXVHLQPKU-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'}

Analyze N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
1-(3,5-dichlorophenyl)-3-(2,2-dimethoxyethyl)thiourea
CID 3862912
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530058
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
N'-(4-amino-2-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108516166
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide (CID 108530034) is N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)OC.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
The InChIKey is UROBSTXVHLQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-19-10(20-2)6-15-11(17)12(18)16-9-4-7(13)3-8(14)5-9/h3-5,10H,6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide?
N'-(3,5-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'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 108530034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).