N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide

C11H12Cl2N2O3 — CID 620497

IUPACN'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-18-6-5-14-10(16)11(17)15-8-4-2-3-7(12)9(8)13/h2-4H,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyFQSKKBNUGMWZES-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.69
Rot. Bonds4

About N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide

N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide (PubChem CID 620497) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
PubChem CID620497
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC NameN'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c1-18-6-5-14-10(16)11(17)15-8-4-2-3-7(12)9(8)13/h2-4H,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyFQSKKBNUGMWZES-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095
N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
CID 2266325
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide
CID 86996127
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-methoxyethyl)urea
CID 47226452
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8657463
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide (CID 620497) is N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide?
The InChIKey is FQSKKBNUGMWZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-18-6-5-14-10(16)11(17)15-8-4-2-3-7(12)9(8)13/h2-4H,5-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide?
N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide has a molecular weight of 291.13 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 620497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).